6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide

C8H8N6O2 — CID 91628560

IUPAC6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ncn[nH]2)ncn1
InChIInChI=1S/C8H8N6O2/c1-16-6-2-5(9-3-10-6)7(15)13-8-11-4-12-14-8/h2-4H,1H3,(H2,11,12,13,14,15)
InChIKeyMGWDJRFLFWWVCI-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.14
Rot. Bonds3

About 6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide

6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 91628560) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide
PubChem CID91628560
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ncn[nH]2)ncn1
InChIInChI=1S/C8H8N6O2/c1-16-6-2-5(9-3-10-6)7(15)13-8-11-4-12-14-8/h2-4H,1H3,(H2,11,12,13,14,15)
InChIKeyMGWDJRFLFWWVCI-UHFFFAOYSA-N
XLogP-0.14
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide (CID 91628560) is 6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide is COc1cc(C(=O)Nc2ncn[nH]2)ncn1.
What is the InChIKey of 6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is MGWDJRFLFWWVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c1-16-6-2-5(9-3-10-6)7(15)13-8-11-4-12-14-8/h2-4H,1H3,(H2,11,12,13,14,15).
What are the key properties of 6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide?
6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 220.19 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91628560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).