1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

C11H20N4 — CID 115897334

IUPAC1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCC(C)C(NCc1ncn(C)n1)C1CC1
InChIInChI=1S/C11H20N4/c1-8(2)11(9-4-5-9)12-6-10-13-7-15(3)14-10/h7-9,11-12H,4-6H2,1-3H3
InChIKeyBYTBGDMRTMJMMK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.34
Rot. Bonds5

About 1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (PubChem CID 115897334) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
PubChem CID115897334
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCC(C)C(NCc1ncn(C)n1)C1CC1
InChIInChI=1S/C11H20N4/c1-8(2)11(9-4-5-9)12-6-10-13-7-15(3)14-10/h7-9,11-12H,4-6H2,1-3H3
InChIKeyBYTBGDMRTMJMMK-UHFFFAOYSA-N
XLogP1.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
2-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propan-1-amine hydrochloride
CID 47000789
N-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-5-yl]methyl}-N-methylpropan-2-amine
CID 72866390
(3R*,4S*)-4-cyclopropyl-1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-pyrrolidinamine
CID 72882922
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 75431571
(1S)-1-cyclopentyl-N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 137992965
1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S)-1-cyclopropylethyl]urea
CID 137994188
1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 164629936
2-Methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propan-1-amine
CID 45791156
(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 28064532
N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 79953177

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (CID 115897334) is 1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is CC(C)C(NCc1ncn(C)n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The InChIKey is BYTBGDMRTMJMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)11(9-4-5-9)12-6-10-13-7-15(3)14-10/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115897334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).