N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine

C12H17N5 — CID 114204577

IUPACN-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2cccnn2)cn1
InChIInChI=1S/C12H17N5/c1-10(2)13-6-12-8-17(9-14-12)7-11-4-3-5-15-16-11/h3-5,8-10,13H,6-7H2,1-2H3
InChIKeyNCKJXTPFYQKWRN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.22
Rot. Bonds5

About N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine

N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 114204577) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID114204577
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2cccnn2)cn1
InChIInChI=1S/C12H17N5/c1-10(2)13-6-12-8-17(9-14-12)7-11-4-3-5-15-16-11/h3-5,8-10,13H,6-7H2,1-2H3
InChIKeyNCKJXTPFYQKWRN-UHFFFAOYSA-N
XLogP1.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
CID 106719587
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719446
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719449
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719343
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719402
N-[[1-[(2-chloro-5-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719617
N-[[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719574
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719299

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine (CID 114204577) is N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(Cc2cccnn2)cn1.
What is the InChIKey of N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is NCKJXTPFYQKWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-10(2)13-6-12-8-17(9-14-12)7-11-4-3-5-15-16-11/h3-5,8-10,13H,6-7H2,1-2H3.
What are the key properties of N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114204577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).