(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

C15H15N7O — CID 126894181

IUPAC(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCN(c2ccc3ncncc3c2)CC1
InChIInChI=1S/C15H15N7O/c23-15(14-18-10-19-20-14)22-5-3-21(4-6-22)12-1-2-13-11(7-12)8-16-9-17-13/h1-2,7-10H,3-6H2,(H,18,19,20)
InChIKeyNAADHTPFOHQBJW-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.71
Rot. Bonds2

About (4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 126894181) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is (4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID126894181
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCN(c2ccc3ncncc3c2)CC1
InChIInChI=1S/C15H15N7O/c23-15(14-18-10-19-20-14)22-5-3-21(4-6-22)12-1-2-13-11(7-12)8-16-9-17-13/h1-2,7-10H,3-6H2,(H,18,19,20)
InChIKeyNAADHTPFOHQBJW-UHFFFAOYSA-N
XLogP0.71
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 126894181) is (4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCN(c2ccc3ncncc3c2)CC1.
What is the InChIKey of (4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is NAADHTPFOHQBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c23-15(14-18-10-19-20-14)22-5-3-21(4-6-22)12-1-2-13-11(7-12)8-16-9-17-13/h1-2,7-10H,3-6H2,(H,18,19,20).
What are the key properties of (4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 309.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 126894181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).