N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine

C7H10N4 — CID 130521607

IUPACN-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine
SMILESC#CC(NC)c1cnn(C)n1
InChIInChI=1S/C7H10N4/c1-4-6(8-2)7-5-9-11(3)10-7/h1,5-6,8H,2-3H3
InChIKeyQKKBLLKEQLDIBY-UHFFFAOYSA-N
MW150.18 g/mol
LogP-0.29
Rot. Bonds2

About N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine

N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine (PubChem CID 130521607) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine
PubChem CID130521607
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC NameN-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine
SMILESC#CC(NC)c1cnn(C)n1
InChIInChI=1S/C7H10N4/c1-4-6(8-2)7-5-9-11(3)10-7/h1,5-6,8H,2-3H3
InChIKeyQKKBLLKEQLDIBY-UHFFFAOYSA-N
XLogP-0.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine (CID 130521607) is N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine is C#CC(NC)c1cnn(C)n1.
What is the InChIKey of N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine?
The InChIKey is QKKBLLKEQLDIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-4-6(8-2)7-5-9-11(3)10-7/h1,5-6,8H,2-3H3.
What are the key properties of N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine?
N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine has a molecular weight of 150.18 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine is sourced from PubChem (CID 130521607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).