N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine

C10H12N8 — CID 113412966

IUPACN-[3-(triazol-1-yl)propyl]-7H-purin-6-amine
SMILESc1cn(CCCNc2ncnc3nc[nH]c23)nn1
InChIInChI=1S/C10H12N8/c1(4-18-5-3-16-17-18)2-11-9-8-10(13-6-12-8)15-7-14-9/h3,5-7H,1-2,4H2,(H2,11,12,13,14,15)
InChIKeyWZDKJAPYQBYCRA-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.45
Rot. Bonds5

About N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine

N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine (PubChem CID 113412966) has the molecular formula C10H12N8 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[3-(triazol-1-yl)propyl]-7H-purin-6-amine
PubChem CID113412966
Molecular FormulaC10H12N8
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-[3-(triazol-1-yl)propyl]-7H-purin-6-amine
SMILESc1cn(CCCNc2ncnc3nc[nH]c23)nn1
InChIInChI=1S/C10H12N8/c1(4-18-5-3-16-17-18)2-11-9-8-10(13-6-12-8)15-7-14-9/h3,5-7H,1-2,4H2,(H2,11,12,13,14,15)
InChIKeyWZDKJAPYQBYCRA-UHFFFAOYSA-N
XLogP0.45
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine
CID 39826375
N-butyl-7H-purin-6-amine;ethane
CID 154667457
(7H-purin-6-ylamino)methanol
CID 86209273
N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide
CID 42536499
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-7H-purin-6-amine
CID 64530053
5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine
CID 72923478
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 49432029
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
6-amino-7-[3-(triazol-1-yl)propylamino]-3H-quinazolin-4-one
CID 136824779

Frequently Asked Questions

What is the IUPAC name of N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine?
The IUPAC name of N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine (CID 113412966) is N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine.
What is the SMILES notation for N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine?
The canonical SMILES for N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine is c1cn(CCCNc2ncnc3nc[nH]c23)nn1.
What is the InChIKey of N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine?
The InChIKey is WZDKJAPYQBYCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8/c1(4-18-5-3-16-17-18)2-11-9-8-10(13-6-12-8)15-7-14-9/h3,5-7H,1-2,4H2,(H2,11,12,13,14,15).
What are the key properties of N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine?
N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine has a molecular weight of 244.26 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine is sourced from PubChem (CID 113412966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).