(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C14H20N6 — CID 124545122

IUPAC(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCn1cncc1CN[C@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C14H20N6/c1-19-11-15-8-13(19)9-16-12-4-3-7-20(10-12)14-5-2-6-17-18-14/h2,5-6,8,11-12,16H,3-4,7,9-10H2,1H3/t12-/m0/s1
InChIKeyFAFBWEFDQIOHBK-LBPRGKRZSA-N
MW272.36 g/mol
LogP0.97
Rot. Bonds4

About (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 124545122) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID124545122
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCn1cncc1CN[C@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C14H20N6/c1-19-11-15-8-13(19)9-16-12-4-3-7-20(10-12)14-5-2-6-17-18-14/h2,5-6,8,11-12,16H,3-4,7,9-10H2,1H3/t12-/m0/s1
InChIKeyFAFBWEFDQIOHBK-LBPRGKRZSA-N
XLogP0.97
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778130
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
CID 124546130
(3S)-1-pyridazin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 95323605
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 124545122) is (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is Cn1cncc1CN[C@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is FAFBWEFDQIOHBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N6/c1-19-11-15-8-13(19)9-16-12-4-3-7-20(10-12)14-5-2-6-17-18-14/h2,5-6,8,11-12,16H,3-4,7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 272.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 124545122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).