N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine

C14H14N6 — CID 24607035

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(NCc3nnc4n3CCC4)ncnc2c1
InChIInChI=1S/C14H14N6/c1-2-5-11-10(4-1)14(17-9-16-11)15-8-13-19-18-12-6-3-7-20(12)13/h1-2,4-5,9H,3,6-8H2,(H,15,16,17)
InChIKeyJSZVOBGXUQEDRE-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.78
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine (PubChem CID 24607035) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine
PubChem CID24607035
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(NCc3nnc4n3CCC4)ncnc2c1
InChIInChI=1S/C14H14N6/c1-2-5-11-10(4-1)14(17-9-16-11)15-8-13-19-18-12-6-3-7-20(12)13/h1-2,4-5,9H,3,6-8H2,(H,15,16,17)
InChIKeyJSZVOBGXUQEDRE-UHFFFAOYSA-N
XLogP1.78
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 24590562
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)aniline
CID 60722553
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 133434370
4-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407819
N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
CID 95764258
N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
CID 95764257
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72850857
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
CID 17472916
3-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 17469532
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methylaniline
CID 54920883
N-[(2-aminocyclohexyl)methyl]quinazolin-4-amine
CID 64928662
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)phenol
CID 54924444

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine (CID 24607035) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine is c1ccc2c(NCc3nnc4n3CCC4)ncnc2c1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine?
The InChIKey is JSZVOBGXUQEDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-2-5-11-10(4-1)14(17-9-16-11)15-8-13-19-18-12-6-3-7-20(12)13/h1-2,4-5,9H,3,6-8H2,(H,15,16,17).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine has a molecular weight of 266.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 24607035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).