(3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

C12H17N5O — CID 105129518

IUPAC(3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H17N5O/c1-5-6-17-10(7-13-15-17)12(18)11-8(2)14-16(4)9(11)3/h7H,5-6H2,1-4H3
InChIKeyPKEZFKBMORJHLZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.27
Rot. Bonds4

About (3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

(3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 105129518) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID105129518
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H17N5O/c1-5-6-17-10(7-13-15-17)12(18)11-8(2)14-16(4)9(11)3/h7H,5-6H2,1-4H3
InChIKeyPKEZFKBMORJHLZ-UHFFFAOYSA-N
XLogP1.27
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of (3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 105129518) is (3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for (3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is CCCn1nncc1C(=O)c1c(C)nn(C)c1C.
What is the InChIKey of (3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is PKEZFKBMORJHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-5-6-17-10(7-13-15-17)12(18)11-8(2)14-16(4)9(11)3/h7H,5-6H2,1-4H3.
What are the key properties of (3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
(3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 247.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 105129518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).