N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine

C10H16N6 — CID 103015801

IUPACN-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESCNCc1ncn(CCc2cnn(C)c2)n1
InChIInChI=1S/C10H16N6/c1-11-6-10-12-8-16(14-10)4-3-9-5-13-15(2)7-9/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyUEXWWXUZJUXMAF-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.03
Rot. Bonds5

About N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine

N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 103015801) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID103015801
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
SMILESCNCc1ncn(CCc2cnn(C)c2)n1
InChIInChI=1S/C10H16N6/c1-11-6-10-12-8-16(14-10)4-3-9-5-13-15(2)7-9/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyUEXWWXUZJUXMAF-UHFFFAOYSA-N
XLogP-0.03
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine
CID 103015778
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015728
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole
CID 103019424
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 103014130
N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methanamine
CID 106732104
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719484
N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103015930

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine (CID 103015801) is N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine is CNCc1ncn(CCc2cnn(C)c2)n1.
What is the InChIKey of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is UEXWWXUZJUXMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-11-6-10-12-8-16(14-10)4-3-9-5-13-15(2)7-9/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine?
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 220.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 103015801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).