6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine

C8H11N7 — CID 68719141

IUPAC6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ncn[nH]1
InChIInChI=1S/C8H11N7/c1-2-4-5(7-11-3-12-15-7)6(9)14-8(10)13-4/h3H,2H2,1H3,(H,11,12,15)(H4,9,10,13,14)
InChIKeyPXBHTHCOAVHCQJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.01
Rot. Bonds2

About 6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine

6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 68719141) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine
PubChem CID68719141
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ncn[nH]1
InChIInChI=1S/C8H11N7/c1-2-4-5(7-11-3-12-15-7)6(9)14-8(10)13-4/h3H,2H2,1H3,(H,11,12,15)(H4,9,10,13,14)
InChIKeyPXBHTHCOAVHCQJ-UHFFFAOYSA-N
XLogP-0.01
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine (CID 68719141) is 6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ncn[nH]1.
What is the InChIKey of 6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is PXBHTHCOAVHCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-2-4-5(7-11-3-12-15-7)6(9)14-8(10)13-4/h3H,2H2,1H3,(H,11,12,15)(H4,9,10,13,14).
What are the key properties of 6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine?
6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 205.22 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68719141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).