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

C13H22N8 — CID 95344960

IUPAC(6R)-N-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCCCn1nnnc1CN[C@@H]1CCc2nc(C)nn2C1
InChIInChI=1S/C13H22N8/c1-3-4-7-20-13(16-18-19-20)8-14-11-5-6-12-15-10(2)17-21(12)9-11/h11,14H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyVZIZVAISZXXCOD-LLVKDONJSA-N
MW290.38 g/mol
LogP0.48
Rot. Bonds6

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

(6R)-N-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95344960) has the molecular formula C13H22N8 and a molecular weight of 290.38 g/mol. Its IUPAC name is (6R)-N-[(1-butyltetrazol-5-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-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95344960
Molecular FormulaC13H22N8
Molecular Weight290.38 g/mol
Exact Mass290.20
IUPAC Name(6R)-N-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCCCn1nnnc1CN[C@@H]1CCc2nc(C)nn2C1
InChIInChI=1S/C13H22N8/c1-3-4-7-20-13(16-18-19-20)8-14-11-5-6-12-15-10(2)17-21(12)9-11/h11,14H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyVZIZVAISZXXCOD-LLVKDONJSA-N
XLogP0.48
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56781309
(6S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95305594
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-methylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95344650
(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
(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340139
(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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95346870
(6R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95607457
(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
1-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]cyclohexan-1-ol
CID 95310254
N,N-dimethyl-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propane-1-sulfonamide
CID 95758078

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(1-butyltetrazol-5-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-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95344960) is (6R)-N-[(1-butyltetrazol-5-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-[(1-butyltetrazol-5-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-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCCCn1nnnc1CN[C@@H]1CCc2nc(C)nn2C1.
What is the InChIKey of (6R)-N-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is VZIZVAISZXXCOD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N8/c1-3-4-7-20-13(16-18-19-20)8-14-11-5-6-12-15-10(2)17-21(12)9-11/h11,14H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (6R)-N-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6R)-N-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 290.38 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(1-butyltetrazol-5-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95344960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).