7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine

C10H13N9 — CID 157019497

IUPAC7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine
SMILESCn1cnc2nc(NCCCc3nn[nH]n3)ncc21
InChIInChI=1S/C10H13N9/c1-19-6-13-9-7(19)5-12-10(14-9)11-4-2-3-8-15-17-18-16-8/h5-6H,2-4H2,1H3,(H,11,12,14)(H,15,16,17,18)
InChIKeyQOPKDGOZFMNNQB-UHFFFAOYSA-N
MW259.28 g/mol
LogP-0.08
Rot. Bonds5

About 7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine

7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine (PubChem CID 157019497) has the molecular formula C10H13N9 and a molecular weight of 259.28 g/mol. Its IUPAC name is 7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine.

Molecular Properties

Compound Name7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine
PubChem CID157019497
Molecular FormulaC10H13N9
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC Name7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine
SMILESCn1cnc2nc(NCCCc3nn[nH]n3)ncc21
InChIInChI=1S/C10H13N9/c1-19-6-13-9-7(19)5-12-10(14-9)11-4-2-3-8-15-17-18-16-8/h5-6H,2-4H2,1H3,(H,11,12,14)(H,15,16,17,18)
InChIKeyQOPKDGOZFMNNQB-UHFFFAOYSA-N
XLogP-0.08
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine?
The IUPAC name of 7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine (CID 157019497) is 7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine.
What is the SMILES notation for 7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine?
The canonical SMILES for 7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine is Cn1cnc2nc(NCCCc3nn[nH]n3)ncc21.
What is the InChIKey of 7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine?
The InChIKey is QOPKDGOZFMNNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N9/c1-19-6-13-9-7(19)5-12-10(14-9)11-4-2-3-8-15-17-18-16-8/h5-6H,2-4H2,1H3,(H,11,12,14)(H,15,16,17,18).
What are the key properties of 7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine?
7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine has a molecular weight of 259.28 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-(2H-tetrazol-5-yl)propyl]purin-2-amine is sourced from PubChem (CID 157019497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).