N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride

C4H9ClN4 — CID 86812387

IUPACN-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride
SMILESCNCc1ncn[nH]1.Cl
InChIInChI=1S/C4H8N4.ClH/c1-5-2-4-6-3-7-8-4;/h3,5H,2H2,1H3,(H,6,7,8);1H
InChIKeyUFRIIAQSVHMFNQ-UHFFFAOYSA-N
MW148.60 g/mol
LogP-0.05
Rot. Bonds2

About N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride

N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride (PubChem CID 86812387) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride
PubChem CID86812387
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC NameN-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride
SMILESCNCc1ncn[nH]1.Cl
InChIInChI=1S/C4H8N4.ClH/c1-5-2-4-6-3-7-8-4;/h3,5H,2H2,1H3,(H,6,7,8);1H
InChIKeyUFRIIAQSVHMFNQ-UHFFFAOYSA-N
XLogP-0.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride (CID 86812387) is N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride is CNCc1ncn[nH]1.Cl.
What is the InChIKey of N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
The InChIKey is UFRIIAQSVHMFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c1-5-2-4-6-3-7-8-4;/h3,5H,2H2,1H3,(H,6,7,8);1H.
What are the key properties of N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 86812387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).