2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C18H20N6O2 — CID 137049269

IUPAC2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC(C2CC2)CC1
InChIInChI=1S/C18H20N6O2/c25-16-15-2-1-7-23(15)21-18(20-16)24-11-14(10-19-24)17(26)22-8-5-13(6-9-22)12-3-4-12/h1-2,7,10-13H,3-6,8-9H2,(H,20,21,25)
InChIKeyYTPUDYSMDYNAQR-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.47
Rot. Bonds3

About 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049269) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049269
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC(C2CC2)CC1
InChIInChI=1S/C18H20N6O2/c25-16-15-2-1-7-23(15)21-18(20-16)24-11-14(10-19-24)17(26)22-8-5-13(6-9-22)12-3-4-12/h1-2,7,10-13H,3-6,8-9H2,(H,20,21,25)
InChIKeyYTPUDYSMDYNAQR-UHFFFAOYSA-N
XLogP1.47
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049269) is 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC(C2CC2)CC1.
What is the InChIKey of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is YTPUDYSMDYNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-16-15-2-1-7-23(15)21-18(20-16)24-11-14(10-19-24)17(26)22-8-5-13(6-9-22)12-3-4-12/h1-2,7,10-13H,3-6,8-9H2,(H,20,21,25).
What are the key properties of 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 352.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).