(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride

C6H13ClN4 — CID 139026277

IUPAC(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
SMILESCCCn1ncnc1CN.Cl
InChIInChI=1S/C6H12N4.ClH/c1-2-3-10-6(4-7)8-5-9-10;/h5H,2-4,7H2,1H3;1H
InChIKeyDQOMIUPGHFHRIU-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.57
Rot. Bonds3

About (2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride

(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride (PubChem CID 139026277) has the molecular formula C6H13ClN4 and a molecular weight of 176.65 g/mol. Its IUPAC name is (2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
PubChem CID139026277
Molecular FormulaC6H13ClN4
Molecular Weight176.65 g/mol
Exact Mass176.08
IUPAC Name(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
SMILESCCCn1ncnc1CN.Cl
InChIInChI=1S/C6H12N4.ClH/c1-2-3-10-6(4-7)8-5-9-10;/h5H,2-4,7H2,1H3;1H
InChIKeyDQOMIUPGHFHRIU-UHFFFAOYSA-N
XLogP0.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 114531647
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine
CID 66229898
[2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine
CID 103412848
[2-(2-fluoropropyl)-1,2,4-triazol-3-yl]methanamine
CID 84650765
3-(aminomethyl)-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116610858
[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
CID 66025427
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66023773
2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 80557324
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116

Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride (CID 139026277) is (2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride is CCCn1ncnc1CN.Cl.
What is the InChIKey of (2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride?
The InChIKey is DQOMIUPGHFHRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.ClH/c1-2-3-10-6(4-7)8-5-9-10;/h5H,2-4,7H2,1H3;1H.
What are the key properties of (2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride?
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 139026277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).