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

C10H7ClN6 — CID 22693152

IUPAC2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
SMILESClc1nc(Nc2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C10H7ClN6/c11-9-14-7-4-2-1-3-6(7)8(15-9)16-10-12-5-13-17-10/h1-5H,(H2,12,13,14,15,16,17)
InChIKeyDMFIFCJYJLCXTO-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.14
Rot. Bonds2

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

2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine (PubChem CID 22693152) has the molecular formula C10H7ClN6 and a molecular weight of 246.66 g/mol. Its IUPAC name is 2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
PubChem CID22693152
Molecular FormulaC10H7ClN6
Molecular Weight246.66 g/mol
Exact Mass246.04
IUPAC Name2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
SMILESClc1nc(Nc2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C10H7ClN6/c11-9-14-7-4-2-1-3-6(7)8(15-9)16-10-12-5-13-17-10/h1-5H,(H2,12,13,14,15,16,17)
InChIKeyDMFIFCJYJLCXTO-UHFFFAOYSA-N
XLogP2.14
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
CID 106193165
2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
CID 70839672
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile
CID 62476495
4-[(2-chloroquinazolin-4-yl)amino]benzoic acid
CID 22692967
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 22692746
N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
CID 63548575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine (CID 22693152) is 2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine is Clc1nc(Nc2ncn[nH]2)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The InChIKey is DMFIFCJYJLCXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6/c11-9-14-7-4-2-1-3-6(7)8(15-9)16-10-12-5-13-17-10/h1-5H,(H2,12,13,14,15,16,17).
What are the key properties of 2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
2-chloro-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine has a molecular weight of 246.66 g/mol, XLogP of 2.14, 2 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-yl)quinazolin-4-amine is sourced from PubChem (CID 22693152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).