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

C8H12N6 — CID 106577175

IUPACN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
SMILESCn1cnc(CCNc2ncc[nH]2)n1
InChIInChI=1S/C8H12N6/c1-14-6-12-7(13-14)2-3-9-8-10-4-5-11-8/h4-6H,2-3H2,1H3,(H2,9,10,11)
InChIKeyFGZCVNUICDAOEI-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.19
Rot. Bonds4

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

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine (PubChem CID 106577175) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
PubChem CID106577175
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
SMILESCn1cnc(CCNc2ncc[nH]2)n1
InChIInChI=1S/C8H12N6/c1-14-6-12-7(13-14)2-3-9-8-10-4-5-11-8/h4-6H,2-3H2,1H3,(H2,9,10,11)
InChIKeyFGZCVNUICDAOEI-UHFFFAOYSA-N
XLogP0.19
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
CID 106577201
N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine
CID 106570305
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80853003
4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 80689575
5-iodo-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956954
2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80688951
6-chloro-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 80681526
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridazin-3-amine
CID 80689016
N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine
CID 106572055
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 80683010
4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,5-thiadiazol-3-amine
CID 80688542
4,6-dimethoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 115355225

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine?
The IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine (CID 106577175) is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine is Cn1cnc(CCNc2ncc[nH]2)n1.
What is the InChIKey of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine?
The InChIKey is FGZCVNUICDAOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-14-6-12-7(13-14)2-3-9-8-10-4-5-11-8/h4-6H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine?
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine has a molecular weight of 192.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine is sourced from PubChem (CID 106577175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).