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

C11H22N4 — CID 115677442

IUPACN-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1ncnn1C
InChIInChI=1S/C11H22N4/c1-4-6-10(7-5-2)12-8-11-13-9-14-15(11)3/h9-10,12H,4-8H2,1-3H3
InChIKeyQLBDBVIKTHIXHH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.87
Rot. Bonds7

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

N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine (PubChem CID 115677442) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
PubChem CID115677442
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCc1ncnn1C
InChIInChI=1S/C11H22N4/c1-4-6-10(7-5-2)12-8-11-13-9-14-15(11)3/h9-10,12H,4-8H2,1-3H3
InChIKeyQLBDBVIKTHIXHH-UHFFFAOYSA-N
XLogP1.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine
CID 103787498
3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 115681286
(2S)-3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249141
3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249791
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
4,4,4-trifluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 115725795
6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine
CID 115725776
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746
(1S)-1-cyclohexyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81384071
1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
CID 79413166
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 116711380

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine?
The IUPAC name of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine (CID 115677442) is N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine.
What is the SMILES notation for N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine?
The canonical SMILES for N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine is CCCC(CCC)NCc1ncnn1C.
What is the InChIKey of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine?
The InChIKey is QLBDBVIKTHIXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-6-10(7-5-2)12-8-11-13-9-14-15(11)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine?
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine has a molecular weight of 210.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine is sourced from PubChem (CID 115677442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).