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

C17H18N6 — CID 95599796

IUPACN-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine
SMILESc1cnnc(N2CCC[C@H](Nc3ncnc4ccccc34)C2)c1
InChIInChI=1S/C17H18N6/c1-2-7-15-14(6-1)17(19-12-18-15)21-13-5-4-10-23(11-13)16-8-3-9-20-22-16/h1-3,6-9,12-13H,4-5,10-11H2,(H,18,19,21)/t13-/m0/s1
InChIKeyJKJPXKQOSBYNKH-ZDUSSCGKSA-N
MW306.37 g/mol
LogP2.50
Rot. Bonds3

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

N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine (PubChem CID 95599796) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine
PubChem CID95599796
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC NameN-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine
SMILESc1cnnc(N2CCC[C@H](Nc3ncnc4ccccc34)C2)c1
InChIInChI=1S/C17H18N6/c1-2-7-15-14(6-1)17(19-12-18-15)21-13-5-4-10-23(11-13)16-8-3-9-20-22-16/h1-3,6-9,12-13H,4-5,10-11H2,(H,18,19,21)/t13-/m0/s1
InChIKeyJKJPXKQOSBYNKH-ZDUSSCGKSA-N
XLogP2.50
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine
CID 95599795
5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile
CID 71933059
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
(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-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778130
1-pyridazin-3-ylpiperidin-3-amine
CID 54593919
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
CID 95290576
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127439
4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide
CID 124882652
6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine
CID 119049563

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine?
The IUPAC name of N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine (CID 95599796) is N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine.
What is the SMILES notation for N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine?
The canonical SMILES for N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine is c1cnnc(N2CCC[C@H](Nc3ncnc4ccccc34)C2)c1.
What is the InChIKey of N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine?
The InChIKey is JKJPXKQOSBYNKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N6/c1-2-7-15-14(6-1)17(19-12-18-15)21-13-5-4-10-23(11-13)16-8-3-9-20-22-16/h1-3,6-9,12-13H,4-5,10-11H2,(H,18,19,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine?
N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine has a molecular weight of 306.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine is sourced from PubChem (CID 95599796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).