N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine

C13H14N6S — CID 80885003

IUPACN-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine
SMILESCCCNc1nc(Sc2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C13H14N6S/c1-2-7-14-12-17-10-6-4-3-5-9(10)11(18-12)20-13-15-8-16-19-13/h3-6,8H,2,7H2,1H3,(H,14,17,18)(H,15,16,19)
InChIKeyOKVLNQIHQKTFFB-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.72
Rot. Bonds5

About N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine

N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine (PubChem CID 80885003) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine
PubChem CID80885003
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC NameN-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine
SMILESCCCNc1nc(Sc2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C13H14N6S/c1-2-7-14-12-17-10-6-4-3-5-9(10)11(18-12)20-13-15-8-16-19-13/h3-6,8H,2,7H2,1H3,(H,14,17,18)(H,15,16,19)
InChIKeyOKVLNQIHQKTFFB-UHFFFAOYSA-N
XLogP2.72
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
CID 107784957
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylquinazolin-2-amine
CID 80869207
4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline
CID 164611705
4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
CID 107765966
N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine
CID 80869962
N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
CID 80883177
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
N-propyl-1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propan-1-amine
CID 112678548
3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80882976
4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
CID 80869687
5-chloro-N-ethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine
CID 80884924

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine?
The IUPAC name of N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine (CID 80885003) is N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine.
What is the SMILES notation for N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine?
The canonical SMILES for N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine is CCCNc1nc(Sc2ncn[nH]2)c2ccccc2n1.
What is the InChIKey of N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine?
The InChIKey is OKVLNQIHQKTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-2-7-14-12-17-10-6-4-3-5-9(10)11(18-12)20-13-15-8-16-19-13/h3-6,8H,2,7H2,1H3,(H,14,17,18)(H,15,16,19).
What are the key properties of N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine?
N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine has a molecular weight of 286.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine is sourced from PubChem (CID 80885003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).