N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide

C10H14N8O — CID 95137688

IUPACN-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nnc2n1C[C@@H](NC(=O)Cn1cnnn1)CC2
InChIInChI=1S/C10H14N8O/c1-7-13-14-9-3-2-8(4-18(7)9)12-10(19)5-17-6-11-15-16-17/h6,8H,2-5H2,1H3,(H,12,19)/t8-/m0/s1
InChIKeyDGZIFAJYKAMAEK-QMMMGPOBSA-N
MW262.28 g/mol
LogP-1.30
Rot. Bonds3

About N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide

N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 95137688) has the molecular formula C10H14N8O and a molecular weight of 262.28 g/mol. Its IUPAC name is N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID95137688
Molecular FormulaC10H14N8O
Molecular Weight262.28 g/mol
Exact Mass262.13
IUPAC NameN-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nnc2n1C[C@@H](NC(=O)Cn1cnnn1)CC2
InChIInChI=1S/C10H14N8O/c1-7-13-14-9-3-2-8(4-18(7)9)12-10(19)5-17-6-11-15-16-17/h6,8H,2-5H2,1H3,(H,12,19)/t8-/m0/s1
InChIKeyDGZIFAJYKAMAEK-QMMMGPOBSA-N
XLogP-1.30
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide (CID 95137688) is N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide is Cc1nnc2n1C[C@@H](NC(=O)Cn1cnnn1)CC2.
What is the InChIKey of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is DGZIFAJYKAMAEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N8O/c1-7-13-14-9-3-2-8(4-18(7)9)12-10(19)5-17-6-11-15-16-17/h6,8H,2-5H2,1H3,(H,12,19)/t8-/m0/s1.
What are the key properties of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide?
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 262.28 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 95137688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).