(6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C17H18ClN5O — CID 95758135

IUPAC(6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2n(n1)C[C@H](NCc1ncc(-c3ccc(Cl)cc3)o1)CC2
InChIInChI=1S/C17H18ClN5O/c1-11-21-16-7-6-14(10-23(16)22-11)19-9-17-20-8-15(24-17)12-2-4-13(18)5-3-12/h2-5,8,14,19H,6-7,9-10H2,1H3/t14-/m1/s1
InChIKeyANCMHBYROUFWCI-CQSZACIVSA-N
MW343.82 g/mol
LogP3.00
Rot. Bonds4

About (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95758135) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95758135
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name(6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2n(n1)C[C@H](NCc1ncc(-c3ccc(Cl)cc3)o1)CC2
InChIInChI=1S/C17H18ClN5O/c1-11-21-16-7-6-14(10-23(16)22-11)19-9-17-20-8-15(24-17)12-2-4-13(18)5-3-12/h2-5,8,14,19H,6-7,9-10H2,1H3/t14-/m1/s1
InChIKeyANCMHBYROUFWCI-CQSZACIVSA-N
XLogP3.00
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

(6S)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95325998
(6S)-2-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95325981
(6R)-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95609048
(6R)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95344650
(6S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95346072
N-[[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 82880087
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183620
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol
CID 95347987
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
(6R)-2-methyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95346814
2-(4-chlorophenyl)-6-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-4-carboxamide
CID 136517247
N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184115

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95758135) is (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cc1nc2n(n1)C[C@H](NCc1ncc(-c3ccc(Cl)cc3)o1)CC2.
What is the InChIKey of (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is ANCMHBYROUFWCI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11-21-16-7-6-14(10-23(16)22-11)19-9-17-20-8-15(24-17)12-2-4-13(18)5-3-12/h2-5,8,14,19H,6-7,9-10H2,1H3/t14-/m1/s1.
What are the key properties of (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 343.82 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95758135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).