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

C4H9ClN4 — CID 18314526

IUPAC(1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1cnc(CN)n1
InChIInChI=1S/C4H8N4.ClH/c1-8-3-6-4(2-5)7-8;/h3H,2,5H2,1H3;1H
InChIKeyPCAPKYZAZDKQNQ-UHFFFAOYSA-N
MW148.60 g/mol
LogP-0.30
Rot. Bonds1

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

(1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride (PubChem CID 18314526) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is (1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
PubChem CID18314526
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name(1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1cnc(CN)n1
InChIInChI=1S/C4H8N4.ClH/c1-8-3-6-4(2-5)7-8;/h3H,2,5H2,1H3;1H
InChIKeyPCAPKYZAZDKQNQ-UHFFFAOYSA-N
XLogP-0.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl-1H-1,2,4-triazol-3-amine
CID 307976
(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
(1H-1,2,4-Triazol-3-yl)methanamine hydrochloride
CID 12278547
methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 45791132
1,3-dimethyl-1H-1,2,4-triazol-5-amine
CID 307975
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethan-1-amine
CID 6492581
(1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 18330011
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride (CID 18314526) is (1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride is Cl.Cn1cnc(CN)n1.
What is the InChIKey of (1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride?
The InChIKey is PCAPKYZAZDKQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c1-8-3-6-4(2-5)7-8;/h3H,2,5H2,1H3;1H.
What are the key properties of (1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride?
(1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,2,4-triazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 18314526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).