3-(1-cyclopropyltetrazol-5-yl)propan-1-amine

C7H13N5 — CID 82228426

IUPAC3-(1-cyclopropyltetrazol-5-yl)propan-1-amine
SMILESNCCCc1nnnn1C1CC1
InChIInChI=1S/C7H13N5/c8-5-1-2-7-9-10-11-12(7)6-3-4-6/h6H,1-5,8H2
InChIKeyHKPZZUMNWVVSSV-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.10
Rot. Bonds4

About 3-(1-cyclopropyltetrazol-5-yl)propan-1-amine

3-(1-cyclopropyltetrazol-5-yl)propan-1-amine (PubChem CID 82228426) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 3-(1-cyclopropyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclopropyltetrazol-5-yl)propan-1-amine
PubChem CID82228426
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name3-(1-cyclopropyltetrazol-5-yl)propan-1-amine
SMILESNCCCc1nnnn1C1CC1
InChIInChI=1S/C7H13N5/c8-5-1-2-7-9-10-11-12(7)6-3-4-6/h6H,1-5,8H2
InChIKeyHKPZZUMNWVVSSV-UHFFFAOYSA-N
XLogP-0.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyltetrazol-5-yl)propan-1-amine?
The IUPAC name of 3-(1-cyclopropyltetrazol-5-yl)propan-1-amine (CID 82228426) is 3-(1-cyclopropyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cyclopropyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(1-cyclopropyltetrazol-5-yl)propan-1-amine is NCCCc1nnnn1C1CC1.
What is the InChIKey of 3-(1-cyclopropyltetrazol-5-yl)propan-1-amine?
The InChIKey is HKPZZUMNWVVSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c8-5-1-2-7-9-10-11-12(7)6-3-4-6/h6H,1-5,8H2.
What are the key properties of 3-(1-cyclopropyltetrazol-5-yl)propan-1-amine?
3-(1-cyclopropyltetrazol-5-yl)propan-1-amine has a molecular weight of 167.22 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 82228426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).