N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H23F3N4 — CID 126810614

IUPACN-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCn1ncnc1CN(C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N4/c1-3-8-21-13(18-10-19-21)9-20(2)12-6-4-11(5-7-12)14(15,16)17/h10-12H,3-9H2,1-2H3
InChIKeyHGMGLNGZWPXGDT-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.24
Rot. Bonds5

About N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 126810614) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID126810614
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC NameN-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCn1ncnc1CN(C)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N4/c1-3-8-21-13(18-10-19-21)9-20(2)12-6-4-11(5-7-12)14(15,16)17/h10-12H,3-9H2,1-2H3
InChIKeyHGMGLNGZWPXGDT-UHFFFAOYSA-N
XLogP3.24
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine with MolForge

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Related Compounds

N-(2-bromoethyl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 80668920
4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79120933
1-cyclopropyl-N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 116653149
2-(2-ethyl-1,2,4-triazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105111466
1-(3-bromocyclobutyl)-N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 80691350
3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 116558471
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83159712
2-bromo-N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 80668114
1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 103455915
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
N'-hydroxy-4-[methyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]benzenecarboximidamide
CID 77098710
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 126810614) is N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is CCCn1ncnc1CN(C)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HGMGLNGZWPXGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-3-8-21-13(18-10-19-21)9-20(2)12-6-4-11(5-7-12)14(15,16)17/h10-12H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 304.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 126810614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).