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

C10H16N6 — CID 66151582

IUPACN-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine
SMILESCNCc1cncn1C(C)c1nncn1C
InChIInChI=1S/C10H16N6/c1-8(10-14-13-7-15(10)3)16-6-12-5-9(16)4-11-2/h5-8,11H,4H2,1-3H3
InChIKeyCLEXHBASPHTITO-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.34
Rot. Bonds4

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

N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine (PubChem CID 66151582) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine
PubChem CID66151582
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine
SMILESCNCc1cncn1C(C)c1nncn1C
InChIInChI=1S/C10H16N6/c1-8(10-14-13-7-15(10)3)16-6-12-5-9(16)4-11-2/h5-8,11H,4H2,1-3H3
InChIKeyCLEXHBASPHTITO-UHFFFAOYSA-N
XLogP0.34
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine (CID 66151582) is N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine is CNCc1cncn1C(C)c1nncn1C.
What is the InChIKey of N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is CLEXHBASPHTITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-8(10-14-13-7-15(10)3)16-6-12-5-9(16)4-11-2/h5-8,11H,4H2,1-3H3.
What are the key properties of N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine?
N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 220.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 66151582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).