N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H15N7O — CID 136914820

IUPACN-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N/N=C\c3c[nH]c4ccccc34)nc2n1
InChIInChI=1S/C17H15N7O/c1-10-7-11(2)24-17(20-10)21-15(23-24)16(25)22-19-9-12-8-18-14-6-4-3-5-13(12)14/h3-9,18H,1-2H3,(H,22,25)/b19-9-
InChIKeyZZLKWPPTYOKSAH-OCKHKDLRSA-N
MW333.36 g/mol
LogP1.99
Rot. Bonds3

About N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 136914820) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID136914820
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC NameN-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N/N=C\c3c[nH]c4ccccc34)nc2n1
InChIInChI=1S/C17H15N7O/c1-10-7-11(2)24-17(20-10)21-15(23-24)16(25)22-19-9-12-8-18-14-6-4-3-5-13(12)14/h3-9,18H,1-2H3,(H,22,25)/b19-9-
InChIKeyZZLKWPPTYOKSAH-OCKHKDLRSA-N
XLogP1.99
TPSA100.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 136914820) is N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N/N=C\c3c[nH]c4ccccc34)nc2n1.
What is the InChIKey of N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZZLKWPPTYOKSAH-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H15N7O/c1-10-7-11(2)24-17(20-10)21-15(23-24)16(25)22-19-9-12-8-18-14-6-4-3-5-13(12)14/h3-9,18H,1-2H3,(H,22,25)/b19-9-.
What are the key properties of N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136914820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).