N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine

C8H12N6 — CID 103131221

IUPACN-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine
SMILESCNC(c1cn[nH]n1)c1ccn(C)n1
InChIInChI=1S/C8H12N6/c1-9-8(7-5-10-13-11-7)6-3-4-14(2)12-6/h3-5,8-9H,1-2H3,(H,10,11,13)
InChIKeyYNROIOLXPZDNCZ-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.15
Rot. Bonds3

About N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine

N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine (PubChem CID 103131221) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine
PubChem CID103131221
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC NameN-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine
SMILESCNC(c1cn[nH]n1)c1ccn(C)n1
InChIInChI=1S/C8H12N6/c1-9-8(7-5-10-13-11-7)6-3-4-14(2)12-6/h3-5,8-9H,1-2H3,(H,10,11,13)
InChIKeyYNROIOLXPZDNCZ-UHFFFAOYSA-N
XLogP-0.15
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine
CID 90212492
N-methyl-1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 79987622
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine
CID 82876819
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 103135486
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 104738299
1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200322
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200164
1-(4-butoxyphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103135767
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine
CID 102754821
N,N',N'-trimethyl-1-(1-methylpyrazol-3-yl)ethane-1,2-diamine
CID 103131116
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200840
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134552

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine (CID 103131221) is N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine is CNC(c1cn[nH]n1)c1ccn(C)n1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine?
The InChIKey is YNROIOLXPZDNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-9-8(7-5-10-13-11-7)6-3-4-14(2)12-6/h3-5,8-9H,1-2H3,(H,10,11,13).
What are the key properties of N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine?
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine has a molecular weight of 192.23 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 103131221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).