N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine

C6H9N5 — CID 130723785

IUPACN-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1nnnn1C
InChIInChI=1S/C6H9N5/c1-3-4-7-5-6-8-9-10-11(6)2/h1,7H,4-5H2,2H3
InChIKeyMDDTWQWGIBPHHU-UHFFFAOYSA-N
MW151.17 g/mol
LogP-1.07
Rot. Bonds3

About N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine

N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine (PubChem CID 130723785) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine
PubChem CID130723785
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC NameN-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1nnnn1C
InChIInChI=1S/C6H9N5/c1-3-4-7-5-6-8-9-10-11(6)2/h1,7H,4-5H2,2H3
InChIKeyMDDTWQWGIBPHHU-UHFFFAOYSA-N
XLogP-1.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine (CID 130723785) is N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine is C#CCNCc1nnnn1C.
What is the InChIKey of N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine?
The InChIKey is MDDTWQWGIBPHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-3-4-7-5-6-8-9-10-11(6)2/h1,7H,4-5H2,2H3.
What are the key properties of N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine?
N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine has a molecular weight of 151.17 g/mol, XLogP of -1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 130723785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).