N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine

C13H22N6 — CID 80682636

IUPACN,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine
SMILESCN(C)c1ncc(CNCCc2cnn(C)c2)n1C
InChIInChI=1S/C13H22N6/c1-17(2)13-15-9-12(19(13)4)8-14-6-5-11-7-16-18(3)10-11/h7,9-10,14H,5-6,8H2,1-4H3
InChIKeyZEWIYYSFLYKOLZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.55
Rot. Bonds6

About N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine

N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine (PubChem CID 80682636) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine
PubChem CID80682636
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine
SMILESCN(C)c1ncc(CNCCc2cnn(C)c2)n1C
InChIInChI=1S/C13H22N6/c1-17(2)13-15-9-12(19(13)4)8-14-6-5-11-7-16-18(3)10-11/h7,9-10,14H,5-6,8H2,1-4H3
InChIKeyZEWIYYSFLYKOLZ-UHFFFAOYSA-N
XLogP0.55
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine
CID 106324569
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80688741
N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine
CID 114615401
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059
5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide
CID 114161729
5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 82706507
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
N-[(2,6-difluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730093
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730058
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine
CID 106327910
2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 103015799

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine?
The IUPAC name of N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine (CID 80682636) is N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine.
What is the SMILES notation for N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine?
The canonical SMILES for N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine is CN(C)c1ncc(CNCCc2cnn(C)c2)n1C.
What is the InChIKey of N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine?
The InChIKey is ZEWIYYSFLYKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-17(2)13-15-9-12(19(13)4)8-14-6-5-11-7-16-18(3)10-11/h7,9-10,14H,5-6,8H2,1-4H3.
What are the key properties of N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine?
N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine has a molecular weight of 262.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine is sourced from PubChem (CID 80682636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).