1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine

C12H24N4 — CID 114690385

IUPAC1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1cnnn1C
InChIInChI=1S/C12H24N4/c1-4-6-11(13-9-5-2)7-8-12-10-14-15-16(12)3/h10-11,13H,4-9H2,1-3H3
InChIKeyKPYQGTDOLGWPAZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.92
Rot. Bonds8

About 1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine

1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine (PubChem CID 114690385) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine
PubChem CID114690385
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1cnnn1C
InChIInChI=1S/C12H24N4/c1-4-6-11(13-9-5-2)7-8-12-10-14-15-16(12)3/h10-11,13H,4-9H2,1-3H3
InChIKeyKPYQGTDOLGWPAZ-UHFFFAOYSA-N
XLogP1.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine
CID 114690387
N-ethyl-4-methyl-1-(3-methyltriazol-4-yl)pentan-3-amine
CID 114690406
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine
CID 114690382
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
1-(5-bromo-3-methyltriazol-4-yl)-N-propylpentan-3-amine
CID 106463504
1-(4-methyl-3-pyridinyl)-N-propylhexan-3-amine
CID 66272340
2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide
CID 155354741
1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine
CID 115682672

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine?
The IUPAC name of 1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine (CID 114690385) is 1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine is CCCNC(CCC)CCc1cnnn1C.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine?
The InChIKey is KPYQGTDOLGWPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-6-11(13-9-5-2)7-8-12-10-14-15-16(12)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine?
1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 114690385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).