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

C10H20N4 — CID 115897313

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ncn(C)n1
InChIInChI=1S/C10H20N4/c1-4-5-6-9(2)11-7-10-12-8-14(3)13-10/h8-9,11H,4-7H2,1-3H3
InChIKeyGAPZEEBNSUPXKR-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.48
Rot. Bonds6

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

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine (PubChem CID 115897313) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
PubChem CID115897313
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ncn(C)n1
InChIInChI=1S/C10H20N4/c1-4-5-6-9(2)11-7-10-12-8-14(3)13-10/h8-9,11H,4-7H2,1-3H3
InChIKeyGAPZEEBNSUPXKR-UHFFFAOYSA-N
XLogP1.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 45791132
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
(2-azepan-1-yl-1-methylethyl)[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 56715560
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 56717875
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
1-[3-(Azepan-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71894068
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16763504
4-methyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole
CID 62694259

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine (CID 115897313) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine is CCCCC(C)NCc1ncn(C)n1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine?
The InChIKey is GAPZEEBNSUPXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-5-6-9(2)11-7-10-12-8-14(3)13-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine is sourced from PubChem (CID 115897313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).