N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine

C10H16N6 — CID 666222

IUPACN-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cccn1C
InChIInChI=1S/C10H16N6/c1-3-6-16-10(12-13-14-16)11-8-9-5-4-7-15(9)2/h4-5,7H,3,6,8H2,1-2H3,(H,11,12,14)
InChIKeyURUFKBSQLGSMCF-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.03
Rot. Bonds5

About N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine

N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine (PubChem CID 666222) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine
PubChem CID666222
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cccn1C
InChIInChI=1S/C10H16N6/c1-3-6-16-10(12-13-14-16)11-8-9-5-4-7-15(9)2/h4-5,7H,3,6,8H2,1-2H3,(H,11,12,14)
InChIKeyURUFKBSQLGSMCF-UHFFFAOYSA-N
XLogP1.03
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine (CID 666222) is N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1cccn1C.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is URUFKBSQLGSMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-3-6-16-10(12-13-14-16)11-8-9-5-4-7-15(9)2/h4-5,7H,3,6,8H2,1-2H3,(H,11,12,14).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine?
N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 220.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 666222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).