ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane

C20H27N5O — CID 142371455

IUPACethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane
SMILESC1CCOC1.CC.Cc1ncccc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C14H13N5.C4H8O.C2H6/c1-11-13(8-5-9-15-11)17-14-16-10-19(18-14)12-6-3-2-4-7-12;1-2-4-5-3-1;1-2/h2-10H,1H3,(H,17,18);1-4H2;1-2H3
InChIKeyGHCFJUMUDZPRPD-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.54
Rot. Bonds3

About ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane

ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane (PubChem CID 142371455) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane.

Molecular Properties

Compound Nameethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane
PubChem CID142371455
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Nameethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane
SMILESC1CCOC1.CC.Cc1ncccc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C14H13N5.C4H8O.C2H6/c1-11-13(8-5-9-15-11)17-14-16-10-19(18-14)12-6-3-2-4-7-12;1-2-4-5-3-1;1-2/h2-10H,1H3,(H,17,18);1-4H2;1-2H3
InChIKeyGHCFJUMUDZPRPD-UHFFFAOYSA-N
XLogP4.54
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane?
The IUPAC name of ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane (CID 142371455) is ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane.
What is the SMILES notation for ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane?
The canonical SMILES for ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane is C1CCOC1.CC.Cc1ncccc1Nc1ncn(-c2ccccc2)n1.
What is the InChIKey of ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane?
The InChIKey is GHCFJUMUDZPRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5.C4H8O.C2H6/c1-11-13(8-5-9-15-11)17-14-16-10-19(18-14)12-6-3-2-4-7-12;1-2-4-5-3-1;1-2/h2-10H,1H3,(H,17,18);1-4H2;1-2H3.
What are the key properties of ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane?
ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane has a molecular weight of 353.47 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane is sourced from PubChem (CID 142371455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).