2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine

C23H23N7O2 — CID 127026831

IUPAC2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccccn2)nn1-c1ncnc2cc(OCC3CC3)c(OCC3CC3)cc12
InChIInChI=1S/C23H23N7O2/c24-23-28-21(17-3-1-2-8-25-17)29-30(23)22-16-9-19(31-11-14-4-5-14)20(32-12-15-6-7-15)10-18(16)26-13-27-22/h1-3,8-10,13-15H,4-7,11-12H2,(H2,24,28,29)
InChIKeyCUBJYDGEQVCROH-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.43
Rot. Bonds8

About 2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine

2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine (PubChem CID 127026831) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
PubChem CID127026831
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccccn2)nn1-c1ncnc2cc(OCC3CC3)c(OCC3CC3)cc12
InChIInChI=1S/C23H23N7O2/c24-23-28-21(17-3-1-2-8-25-17)29-30(23)22-16-9-19(31-11-14-4-5-14)20(32-12-15-6-7-15)10-18(16)26-13-27-22/h1-3,8-10,13-15H,4-7,11-12H2,(H2,24,28,29)
InChIKeyCUBJYDGEQVCROH-UHFFFAOYSA-N
XLogP3.43
TPSA113.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine (CID 127026831) is 2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine is Nc1nc(-c2ccccn2)nn1-c1ncnc2cc(OCC3CC3)c(OCC3CC3)cc12.
What is the InChIKey of 2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is CUBJYDGEQVCROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c24-23-28-21(17-3-1-2-8-25-17)29-30(23)22-16-9-19(31-11-14-4-5-14)20(32-12-15-6-7-15)10-18(16)26-13-27-22/h1-3,8-10,13-15H,4-7,11-12H2,(H2,24,28,29).
What are the key properties of 2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine?
2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine has a molecular weight of 429.48 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-bis(cyclopropylmethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 127026831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).