N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine

C5H7N5 — CID 63951089

IUPACN-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine
SMILESC#CCNCc1nn[nH]n1
InChIInChI=1S/C5H7N5/c1-2-3-6-4-5-7-9-10-8-5/h1,6H,3-4H2,(H,7,8,9,10)
InChIKeyXTSZPXLWSQPSCE-UHFFFAOYSA-N
MW137.15 g/mol
LogP-1.08
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine

N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine (PubChem CID 63951089) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine
PubChem CID63951089
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC NameN-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine
SMILESC#CCNCc1nn[nH]n1
InChIInChI=1S/C5H7N5/c1-2-3-6-4-5-7-9-10-8-5/h1,6H,3-4H2,(H,7,8,9,10)
InChIKeyXTSZPXLWSQPSCE-UHFFFAOYSA-N
XLogP-1.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine (CID 63951089) is N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine is C#CCNCc1nn[nH]n1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine?
The InChIKey is XTSZPXLWSQPSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c1-2-3-6-4-5-7-9-10-8-5/h1,6H,3-4H2,(H,7,8,9,10).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine?
N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine has a molecular weight of 137.15 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 63951089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).