(1-propyltetrazol-5-yl)methanamine

C5H11N5 — CID 62736890

IUPAC(1-propyltetrazol-5-yl)methanamine
SMILESCCCn1nnnc1CN
InChIInChI=1S/C5H11N5/c1-2-3-10-5(4-6)7-8-9-10/h2-4,6H2,1H3
InChIKeyIDWNKEKMCWJSGD-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.46
Rot. Bonds3

About (1-propyltetrazol-5-yl)methanamine

(1-propyltetrazol-5-yl)methanamine (PubChem CID 62736890) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methanamine
PubChem CID62736890
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name(1-propyltetrazol-5-yl)methanamine
SMILESCCCn1nnnc1CN
InChIInChI=1S/C5H11N5/c1-2-3-10-5(4-6)7-8-9-10/h2-4,6H2,1H3
InChIKeyIDWNKEKMCWJSGD-UHFFFAOYSA-N
XLogP-0.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methanamine?
The IUPAC name of (1-propyltetrazol-5-yl)methanamine (CID 62736890) is (1-propyltetrazol-5-yl)methanamine.
What is the SMILES notation for (1-propyltetrazol-5-yl)methanamine?
The canonical SMILES for (1-propyltetrazol-5-yl)methanamine is CCCn1nnnc1CN.
What is the InChIKey of (1-propyltetrazol-5-yl)methanamine?
The InChIKey is IDWNKEKMCWJSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-2-3-10-5(4-6)7-8-9-10/h2-4,6H2,1H3.
What are the key properties of (1-propyltetrazol-5-yl)methanamine?
(1-propyltetrazol-5-yl)methanamine has a molecular weight of 141.18 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methanamine is sourced from PubChem (CID 62736890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).