N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C15H23N5O — CID 95302274

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCCc1nnc2n1C[C@H](CNCc1c(C)noc1C)CC2
InChIInChI=1S/C15H23N5O/c1-4-14-17-18-15-6-5-12(9-20(14)15)7-16-8-13-10(2)19-21-11(13)3/h12,16H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyIVCNPNKQAZQTMW-LBPRGKRZSA-N
MW289.38 g/mol
LogP1.80
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 95302274) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID95302274
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCCc1nnc2n1C[C@H](CNCc1c(C)noc1C)CC2
InChIInChI=1S/C15H23N5O/c1-4-14-17-18-15-6-5-12(9-20(14)15)7-16-8-13-10(2)19-21-11(13)3/h12,16H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyIVCNPNKQAZQTMW-LBPRGKRZSA-N
XLogP1.80
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 86772376
1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 95333628
4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125172
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417485
1-[(3S)-1-(4-bromophenyl)pyrrolidin-3-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 124694514
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
CID 93420640
2-(benzenesulfonyl)-N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95311250
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626255
3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 83875146
N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1,3-benzothiazol-2-amine
CID 95326395
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 78989481

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 95302274) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is CCc1nnc2n1C[C@H](CNCc1c(C)noc1C)CC2.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is IVCNPNKQAZQTMW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-14-17-18-15-6-5-12(9-20(14)15)7-16-8-13-10(2)19-21-11(13)3/h12,16H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 289.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 95302274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).