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

C14H22N8 — CID 56780070

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)c1nc2n(n1)CC(NCc1nnnn1C1CC1)CC2
InChIInChI=1S/C14H22N8/c1-9(2)14-16-12-6-3-10(8-21(12)18-14)15-7-13-17-19-20-22(13)11-4-5-11/h9-11,15H,3-8H2,1-2H3
InChIKeyMPMSACIHWGFBGK-UHFFFAOYSA-N
MW302.39 g/mol
LogP0.83
Rot. Bonds5

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

N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 56780070) has the molecular formula C14H22N8 and a molecular weight of 302.39 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID56780070
Molecular FormulaC14H22N8
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)c1nc2n(n1)CC(NCc1nnnn1C1CC1)CC2
InChIInChI=1S/C14H22N8/c1-9(2)14-16-12-6-3-10(8-21(12)18-14)15-7-13-17-19-20-22(13)11-4-5-11/h9-11,15H,3-8H2,1-2H3
InChIKeyMPMSACIHWGFBGK-UHFFFAOYSA-N
XLogP0.83
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 56780070) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CC(C)c1nc2n(n1)CC(NCc1nnnn1C1CC1)CC2.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is MPMSACIHWGFBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8/c1-9(2)14-16-12-6-3-10(8-21(12)18-14)15-7-13-17-19-20-22(13)11-4-5-11/h9-11,15H,3-8H2,1-2H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 302.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 56780070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).