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

C17H22N8 — CID 56781309

IUPACN-[[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
SMILESCc1nc2n(n1)CC(NCc1nnnn1-c1c(C)cccc1C)CC2
InChIInChI=1S/C17H22N8/c1-11-5-4-6-12(2)17(11)25-16(20-22-23-25)9-18-14-7-8-15-19-13(3)21-24(15)10-14/h4-6,14,18H,7-10H2,1-3H3
InChIKeyHJHSPFBSLHXZMV-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.28
Rot. Bonds4

About 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

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 (PubChem CID 56781309) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID56781309
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[[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
SMILESCc1nc2n(n1)CC(NCc1nnnn1-c1c(C)cccc1C)CC2
InChIInChI=1S/C17H22N8/c1-11-5-4-6-12(2)17(11)25-16(20-22-23-25)9-18-14-7-8-15-19-13(3)21-24(15)10-14/h4-6,14,18H,7-10H2,1-3H3
InChIKeyHJHSPFBSLHXZMV-UHFFFAOYSA-N
XLogP1.28
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2n(n1)CC(NCc1nnnn1-c1c(C)cccc1C)CC2.
What is the InChIKey of 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?
The InChIKey is HJHSPFBSLHXZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-11-5-4-6-12(2)17(11)25-16(20-22-23-25)9-18-14-7-8-15-19-13(3)21-24(15)10-14/h4-6,14,18H,7-10H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 338.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 56781309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).