N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C13H15N5 — CID 106832629

IUPACN-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1cnnc(CNc2ncnc3c2CCCC3)c1
InChIInChI=1S/C13H15N5/c1-2-6-12-11(5-1)13(16-9-15-12)14-8-10-4-3-7-17-18-10/h3-4,7,9H,1-2,5-6,8H2,(H,14,15,16)
InChIKeyFLNHCWYTLLLAEB-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.76
Rot. Bonds3

About N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 106832629) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID106832629
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC NameN-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1cnnc(CNc2ncnc3c2CCCC3)c1
InChIInChI=1S/C13H15N5/c1-2-6-12-11(5-1)13(16-9-15-12)14-8-10-4-3-7-17-18-10/h3-4,7,9H,1-2,5-6,8H2,(H,14,15,16)
InChIKeyFLNHCWYTLLLAEB-UHFFFAOYSA-N
XLogP1.76
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzylquinazolin-4-amine
CID 616573
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
Strinoline
CID 213010
4-Anilino quinazoline deriv. 18
CID 5328017
4-N-phenylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328051
4-N-(3-methylphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328073
4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328077
4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328090

Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 106832629) is N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is c1cnnc(CNc2ncnc3c2CCCC3)c1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is FLNHCWYTLLLAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-2-6-12-11(5-1)13(16-9-15-12)14-8-10-4-3-7-17-18-10/h3-4,7,9H,1-2,5-6,8H2,(H,14,15,16).
What are the key properties of N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 241.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 106832629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).