4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine

C10H14N6O — CID 12889422

IUPAC4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1cc(-c2nc(N)n[nH]2)ccn1
InChIInChI=1S/C10H14N6O/c1-17-5-4-13-8-6-7(2-3-12-8)9-14-10(11)16-15-9/h2-3,6H,4-5H2,1H3,(H,12,13)(H3,11,14,15,16)
InChIKeyMXNXMBPQGYOJBJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.51
Rot. Bonds5

About 4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine

4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 12889422) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID12889422
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1cc(-c2nc(N)n[nH]2)ccn1
InChIInChI=1S/C10H14N6O/c1-17-5-4-13-8-6-7(2-3-12-8)9-14-10(11)16-15-9/h2-3,6H,4-5H2,1H3,(H,12,13)(H3,11,14,15,16)
InChIKeyMXNXMBPQGYOJBJ-UHFFFAOYSA-N
XLogP0.51
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine?
The IUPAC name of 4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine (CID 12889422) is 4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for 4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for 4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine is COCCNc1cc(-c2nc(N)n[nH]2)ccn1.
What is the InChIKey of 4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is MXNXMBPQGYOJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-17-5-4-13-8-6-7(2-3-12-8)9-14-10(11)16-15-9/h2-3,6H,4-5H2,1H3,(H,12,13)(H3,11,14,15,16).
What are the key properties of 4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine?
4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 234.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 12889422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).