N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine

C10H13N5 — CID 71373628

IUPACN-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine
SMILESCC(C)=CCNc1nccc2n[nH]nc12
InChIInChI=1S/C10H13N5/c1-7(2)3-5-11-10-9-8(4-6-12-10)13-15-14-9/h3-4,6H,5H2,1-2H3,(H,11,12)(H,13,14,15)
InChIKeyZSVSHBGYNMDNKC-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.73
Rot. Bonds3

About N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine

N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine (PubChem CID 71373628) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine
PubChem CID71373628
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine
SMILESCC(C)=CCNc1nccc2n[nH]nc12
InChIInChI=1S/C10H13N5/c1-7(2)3-5-11-10-9-8(4-6-12-10)13-15-14-9/h3-4,6H,5H2,1-2H3,(H,11,12)(H,13,14,15)
InChIKeyZSVSHBGYNMDNKC-UHFFFAOYSA-N
XLogP1.73
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine (CID 71373628) is N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine is CC(C)=CCNc1nccc2n[nH]nc12.
What is the InChIKey of N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine?
The InChIKey is ZSVSHBGYNMDNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-7(2)3-5-11-10-9-8(4-6-12-10)13-15-14-9/h3-4,6H,5H2,1-2H3,(H,11,12)(H,13,14,15).
What are the key properties of N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine?
N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine has a molecular weight of 203.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 71373628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).