5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide

C15H18N8O — CID 71880814

IUPAC5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(NCCNC(=O)c2cc(C3CC3)[nH]n2)n2ncnc2n1
InChIInChI=1S/C15H18N8O/c1-9-6-13(23-15(20-9)18-8-19-23)16-4-5-17-14(24)12-7-11(21-22-12)10-2-3-10/h6-8,10,16H,2-5H2,1H3,(H,17,24)(H,21,22)
InChIKeyUPYKEDXRNLJDKM-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.88
Rot. Bonds6

About 5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 71880814) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID71880814
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(NCCNC(=O)c2cc(C3CC3)[nH]n2)n2ncnc2n1
InChIInChI=1S/C15H18N8O/c1-9-6-13(23-15(20-9)18-8-19-23)16-4-5-17-14(24)12-7-11(21-22-12)10-2-3-10/h6-8,10,16H,2-5H2,1H3,(H,17,24)(H,21,22)
InChIKeyUPYKEDXRNLJDKM-UHFFFAOYSA-N
XLogP0.88
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide (CID 71880814) is 5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide is Cc1cc(NCCNC(=O)c2cc(C3CC3)[nH]n2)n2ncnc2n1.
What is the InChIKey of 5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UPYKEDXRNLJDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-9-6-13(23-15(20-9)18-8-19-23)16-4-5-17-14(24)12-7-11(21-22-12)10-2-3-10/h6-8,10,16H,2-5H2,1H3,(H,17,24)(H,21,22).
What are the key properties of 5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71880814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).