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

C12H24N4 — CID 103787498

IUPACN-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1ncnn1C
InChIInChI=1S/C12H24N4/c1-4-6-8-11(7-5-2)13-9-12-14-10-15-16(12)3/h10-11,13H,4-9H2,1-3H3
InChIKeyBYGJBAXNEQTWDZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.26
Rot. Bonds8

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

N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine (PubChem CID 103787498) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine
PubChem CID103787498
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1ncnn1C
InChIInChI=1S/C12H24N4/c1-4-6-8-11(7-5-2)13-9-12-14-10-15-16(12)3/h10-11,13H,4-9H2,1-3H3
InChIKeyBYGJBAXNEQTWDZ-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115677442
1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
CID 79413166
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
N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine
CID 63292288
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine
CID 103781055
2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-nonylguanidine
CID 111708115
1-hexyl-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111706031
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
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine
CID 106023294

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine?
The IUPAC name of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine (CID 103787498) is N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine.
What is the SMILES notation for N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine?
The canonical SMILES for N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine is CCCCC(CCC)NCc1ncnn1C.
What is the InChIKey of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine?
The InChIKey is BYGJBAXNEQTWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-6-8-11(7-5-2)13-9-12-14-10-15-16(12)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine?
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine has a molecular weight of 224.35 g/mol, XLogP of 2.26, 8 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]octan-4-amine is sourced from PubChem (CID 103787498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).