5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine

C11H22N4 — CID 60978338

IUPAC5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine
SMILESCCC(C)CC(CC)NCc1ncn[nH]1
InChIInChI=1S/C11H22N4/c1-4-9(3)6-10(5-2)12-7-11-13-8-14-15-11/h8-10,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyWYVJPEFMULABSX-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.11
Rot. Bonds7

About 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine

5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine (PubChem CID 60978338) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine
PubChem CID60978338
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine
SMILESCCC(C)CC(CC)NCc1ncn[nH]1
InChIInChI=1S/C11H22N4/c1-4-9(3)6-10(5-2)12-7-11-13-8-14-15-11/h8-10,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyWYVJPEFMULABSX-UHFFFAOYSA-N
XLogP2.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4H-1,2,4-triazol-3-yl)propan-1-amine
CID 53964183
4,4-dimethyl-1-(4H-1,2,4-triazol-3-yl)pentan-1-amine dihydrochloride
CID 119032830
rac-(1r,4r)-4-(1H-1,2,4-triazol-3-yl)cyclohexan-1-amine hydrochloride
CID 138991550
1-(4-cyclopentylbutan-2-yl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75483889
3-{[(3,3,5,5-tetramethylcyclohexyl)amino]methyl}-1H-1,2,4-triazol-5-amine
CID 122567628
5-[[[(1S)-1-cyclopentylpropyl]amino]methyl]-1H-1,2,4-triazol-3-amine
CID 125437424
(1S,6R)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]bicyclo[4.1.0]heptan-2-amine
CID 132362248
(1R,6S)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]bicyclo[4.1.0]heptan-2-amine
CID 132393240
(1S)-1-cyclopentyl-N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 137992965
(1r,4r)-4-(1h-1,2,4-Triazol-3-yl)cyclohexan-1-amine
CID 61361214
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753676
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753875

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine?
The IUPAC name of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine (CID 60978338) is 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine.
What is the SMILES notation for 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine?
The canonical SMILES for 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine is CCC(C)CC(CC)NCc1ncn[nH]1.
What is the InChIKey of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine?
The InChIKey is WYVJPEFMULABSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-9(3)6-10(5-2)12-7-11-13-8-14-15-11/h8-10,12H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine?
5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine is sourced from PubChem (CID 60978338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).