5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C9H11N9 — CID 154743615

IUPAC5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2nn[nH]n2)n2ncnc2n1
InChIInChI=1S/C9H11N9/c1-2-6-3-8(10-4-7-14-16-17-15-7)18-9(13-6)11-5-12-18/h3,5,10H,2,4H2,1H3,(H,14,15,16,17)
InChIKeySNMVHRRNVHXKRX-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.19
Rot. Bonds4

About 5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 154743615) has the molecular formula C9H11N9 and a molecular weight of 245.25 g/mol. Its IUPAC name is 5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID154743615
Molecular FormulaC9H11N9
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2nn[nH]n2)n2ncnc2n1
InChIInChI=1S/C9H11N9/c1-2-6-3-8(10-4-7-14-16-17-15-7)18-9(13-6)11-5-12-18/h3,5,10H,2,4H2,1H3,(H,14,15,16,17)
InChIKeySNMVHRRNVHXKRX-UHFFFAOYSA-N
XLogP-0.19
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 154743615) is 5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCc2nn[nH]n2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SNMVHRRNVHXKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N9/c1-2-6-3-8(10-4-7-14-16-17-15-7)18-9(13-6)11-5-12-18/h3,5,10H,2,4H2,1H3,(H,14,15,16,17).
What are the key properties of 5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 245.25 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 154743615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).