(2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride

C8H17ClN4 — CID 170534889

IUPAC(2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride
SMILESCC(C)C[C@H](N)Cn1cncn1.Cl
InChIInChI=1S/C8H16N4.ClH/c1-7(2)3-8(9)4-12-6-10-5-11-12;/h5-8H,3-4,9H2,1-2H3;1H/t8-;/m0./s1
InChIKeyMARPSILXBCDFJB-QRPNPIFTSA-N
MW204.71 g/mol
LogP1.07
Rot. Bonds4

About (2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride

(2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride (PubChem CID 170534889) has the molecular formula C8H17ClN4 and a molecular weight of 204.71 g/mol. Its IUPAC name is (2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride
PubChem CID170534889
Molecular FormulaC8H17ClN4
Molecular Weight204.71 g/mol
Exact Mass204.11
IUPAC Name(2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride
SMILESCC(C)C[C@H](N)Cn1cncn1.Cl
InChIInChI=1S/C8H16N4.ClH/c1-7(2)3-8(9)4-12-6-10-5-11-12;/h5-8H,3-4,9H2,1-2H3;1H/t8-;/m0./s1
InChIKeyMARPSILXBCDFJB-QRPNPIFTSA-N
XLogP1.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.71
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 6484104
3-(1H-1,2,4-triazol-1-yl)butan-2-amine
CID 50987516
rac-(1r,3r)-3-[(1H-1,2,4-triazol-1-yl)methyl]cyclobutan-1-amine dihydrochloride
CID 137964604
rac-((1s,3s)-3-(1H-1,2,4-triazol-1-yl)cyclobutyl)methanamine dihydrochloride
CID 145909965
1-[2-[[1-Cyclopropylethyl(methyl)sulfamoyl]amino]propyl]-1,2,4-triazole
CID 53605485
1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine
CID 71861037
1-[[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95307747
(1r,3r)-3-[(1H-1,2,4-triazol-1-yl)methyl]cyclobutan-1-amine
CID 137964605
1-(Cyclopentylmethyl)-3-[3-(1,2,4-triazol-1-yl)butan-2-yl]urea
CID 53595305
(2S)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 8041175
(2R)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 8041221
Cyclopentyl-(2-[1,2,4]triazol-1-yl-ethyl)-amine
CID 18349129

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride?
The IUPAC name of (2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride (CID 170534889) is (2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride?
The canonical SMILES for (2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride is CC(C)C[C@H](N)Cn1cncn1.Cl.
What is the InChIKey of (2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride?
The InChIKey is MARPSILXBCDFJB-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H16N4.ClH/c1-7(2)3-8(9)4-12-6-10-5-11-12;/h5-8H,3-4,9H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride?
(2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride has a molecular weight of 204.71 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine;hydrochloride is sourced from PubChem (CID 170534889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).