2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine

C11H9ClN6 — CID 106193165

IUPAC2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
SMILESClc1nc(NCc2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C11H9ClN6/c12-11-16-8-4-2-1-3-7(8)10(17-11)13-5-9-14-6-15-18-9/h1-4,6H,5H2,(H,13,16,17)(H,14,15,18)
InChIKeyRJALKIFCMXZMTN-UHFFFAOYSA-N
MW260.69 g/mol
LogP2.01
Rot. Bonds3

About 2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine

2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine (PubChem CID 106193165) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
PubChem CID106193165
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
SMILESClc1nc(NCc2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C11H9ClN6/c12-11-16-8-4-2-1-3-7(8)10(17-11)13-5-9-14-6-15-18-9/h1-4,6H,5H2,(H,13,16,17)(H,14,15,18)
InChIKeyRJALKIFCMXZMTN-UHFFFAOYSA-N
XLogP2.01
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
CID 22693152
4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine
CID 106193133
2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193136
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
CID 106405493
2-chloro-N-[(4-phenoxyphenyl)methyl]quinazolin-4-amine
CID 87480931
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
CID 55080452
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
CID 106405358
2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
CID 146254293
4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
CID 166327131
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine
CID 64530668
1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine
CID 59299621

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine (CID 106193165) is 2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine is Clc1nc(NCc2ncn[nH]2)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine?
The InChIKey is RJALKIFCMXZMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-11-16-8-4-2-1-3-7(8)10(17-11)13-5-9-14-6-15-18-9/h1-4,6H,5H2,(H,13,16,17)(H,14,15,18).
What are the key properties of 2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine?
2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine has a molecular weight of 260.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 106193165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).