N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine

C8H14N4 — CID 130599121

IUPACN-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine
SMILESCNCC1CC1c1cn(C)nn1
InChIInChI=1S/C8H14N4/c1-9-4-6-3-7(6)8-5-12(2)11-10-8/h5-7,9H,3-4H2,1-2H3
InChIKeyAZCKWIYIBUPBNR-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.14
Rot. Bonds3

About N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine

N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine (PubChem CID 130599121) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine
PubChem CID130599121
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine
SMILESCNCC1CC1c1cn(C)nn1
InChIInChI=1S/C8H14N4/c1-9-4-6-3-7(6)8-5-12(2)11-10-8/h5-7,9H,3-4H2,1-2H3
InChIKeyAZCKWIYIBUPBNR-UHFFFAOYSA-N
XLogP0.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine (CID 130599121) is N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine is CNCC1CC1c1cn(C)nn1.
What is the InChIKey of N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine?
The InChIKey is AZCKWIYIBUPBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-9-4-6-3-7(6)8-5-12(2)11-10-8/h5-7,9H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine?
N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine has a molecular weight of 166.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 130599121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).