N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride

C5H11ClN4 — CID 122156619

IUPACN-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride
SMILESCNCc1cn(C)nn1.Cl
InChIInChI=1S/C5H10N4.ClH/c1-6-3-5-4-9(2)8-7-5;/h4,6H,3H2,1-2H3;1H
InChIKeyRAKWHDNYVFJOPW-UHFFFAOYSA-N
MW162.62 g/mol
LogP-0.04
Rot. Bonds2

About N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride

N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride (PubChem CID 122156619) has the molecular formula C5H11ClN4 and a molecular weight of 162.62 g/mol. Its IUPAC name is N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride
PubChem CID122156619
Molecular FormulaC5H11ClN4
Molecular Weight162.62 g/mol
Exact Mass162.07
IUPAC NameN-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride
SMILESCNCc1cn(C)nn1.Cl
InChIInChI=1S/C5H10N4.ClH/c1-6-3-5-4-9(2)8-7-5;/h4,6H,3H2,1-2H3;1H
InChIKeyRAKWHDNYVFJOPW-UHFFFAOYSA-N
XLogP-0.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 69061589
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CID 110209505
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CID 53800752

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride (CID 122156619) is N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride is CNCc1cn(C)nn1.Cl.
What is the InChIKey of N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride?
The InChIKey is RAKWHDNYVFJOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4.ClH/c1-6-3-5-4-9(2)8-7-5;/h4,6H,3H2,1-2H3;1H.
What are the key properties of N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride?
N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyltriazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 122156619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).