N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C14H17N7OS — CID 77078669

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1nnc(CNC(=O)c2cc(C(C)C)n3ncnc3n2)s1
InChIInChI=1S/C14H17N7OS/c1-4-11-19-20-12(23-11)6-15-13(22)9-5-10(8(2)3)21-14(18-9)16-7-17-21/h5,7-8H,4,6H2,1-3H3,(H,15,22)
InChIKeyBQQGKMUQSSPWPA-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.59
Rot. Bonds5

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 77078669) has the molecular formula C14H17N7OS and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID77078669
Molecular FormulaC14H17N7OS
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1nnc(CNC(=O)c2cc(C(C)C)n3ncnc3n2)s1
InChIInChI=1S/C14H17N7OS/c1-4-11-19-20-12(23-11)6-15-13(22)9-5-10(8(2)3)21-14(18-9)16-7-17-21/h5,7-8H,4,6H2,1-3H3,(H,15,22)
InChIKeyBQQGKMUQSSPWPA-UHFFFAOYSA-N
XLogP1.59
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 77078669) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CCc1nnc(CNC(=O)c2cc(C(C)C)n3ncnc3n2)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is BQQGKMUQSSPWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS/c1-4-11-19-20-12(23-11)6-15-13(22)9-5-10(8(2)3)21-14(18-9)16-7-17-21/h5,7-8H,4,6H2,1-3H3,(H,15,22).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 77078669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).