4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine

C9H15N7 — CID 106387289

IUPAC4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
SMILESCn1ccc(-c2nnnn2CCCCN)n1
InChIInChI=1S/C9H15N7/c1-15-7-4-8(12-15)9-11-13-14-16(9)6-3-2-5-10/h4,7H,2-3,5-6,10H2,1H3
InChIKeyVSJRGMFPNYZTSH-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.19
Rot. Bonds5

About 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine

4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine (PubChem CID 106387289) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
PubChem CID106387289
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
SMILESCn1ccc(-c2nnnn2CCCCN)n1
InChIInChI=1S/C9H15N7/c1-15-7-4-8(12-15)9-11-13-14-16(9)6-3-2-5-10/h4,7H,2-3,5-6,10H2,1H3
InChIKeyVSJRGMFPNYZTSH-UHFFFAOYSA-N
XLogP-0.19
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
CID 103123567
4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182237
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277
4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 106387254
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine
CID 106387339
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
CID 84758929
4-[5-(3,5-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84759011

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine (CID 106387289) is 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine is Cn1ccc(-c2nnnn2CCCCN)n1.
What is the InChIKey of 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine?
The InChIKey is VSJRGMFPNYZTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-15-7-4-8(12-15)9-11-13-14-16(9)6-3-2-5-10/h4,7H,2-3,5-6,10H2,1H3.
What are the key properties of 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine?
4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine has a molecular weight of 221.27 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 106387289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).