(1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine

C6H12N4 — CID 96637208

IUPAC(1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC[C@H](N)c1ncn(C)n1
InChIInChI=1S/C6H12N4/c1-3-5(7)6-8-4-10(2)9-6/h4-5H,3,7H2,1-2H3/t5-/m0/s1
InChIKeyUSRLURUFRDKPEX-YFKPBYRVSA-N
MW140.19 g/mol
LogP0.22
Rot. Bonds2

About (1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine

(1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 96637208) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID96637208
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC[C@H](N)c1ncn(C)n1
InChIInChI=1S/C6H12N4/c1-3-5(7)6-8-4-10(2)9-6/h4-5H,3,7H2,1-2H3/t5-/m0/s1
InChIKeyUSRLURUFRDKPEX-YFKPBYRVSA-N
XLogP0.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 82407574
(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 97288693
3-[(1S)-1-ethoxy-2-methylpropyl]-1-methyl-1,2,4-triazole
CID 177331407
(R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine
CID 97288117
3-(1-methoxyethyl)-1-methyl-1,2,4-triazole
CID 175359877
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
(1-methyl-1,2,4-triazol-3-yl)-phenylmethanol
CID 59330649
1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine
CID 174898965
1-(4-chloropyrimidin-2-yl)propan-1-amine
CID 87642451
3-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-2-thione
CID 131048768
N-[(2-ethylcyclohexyl)methyl]-1-(1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 126837046

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of (1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 96637208) is (1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine is CC[C@H](N)c1ncn(C)n1.
What is the InChIKey of (1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is USRLURUFRDKPEX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-5(7)6-8-4-10(2)9-6/h4-5H,3,7H2,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine?
(1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 96637208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).