1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile

C11H12N6 — CID 79250878

IUPAC1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile
SMILESCCNc1ccnc(Cn2cnc(C#N)n2)c1
InChIInChI=1S/C11H12N6/c1-2-13-9-3-4-14-10(5-9)7-17-8-15-11(6-12)16-17/h3-5,8H,2,7H2,1H3,(H,13,14)
InChIKeyHPAQUYUVSKVOAJ-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.02
Rot. Bonds4

About 1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile

1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile (PubChem CID 79250878) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile
PubChem CID79250878
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile
SMILESCCNc1ccnc(Cn2cnc(C#N)n2)c1
InChIInChI=1S/C11H12N6/c1-2-13-9-3-4-14-10(5-9)7-17-8-15-11(6-12)16-17/h3-5,8H,2,7H2,1H3,(H,13,14)
InChIKeyHPAQUYUVSKVOAJ-UHFFFAOYSA-N
XLogP1.02
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile (CID 79250878) is 1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile is CCNc1ccnc(Cn2cnc(C#N)n2)c1.
What is the InChIKey of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile?
The InChIKey is HPAQUYUVSKVOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-2-13-9-3-4-14-10(5-9)7-17-8-15-11(6-12)16-17/h3-5,8H,2,7H2,1H3,(H,13,14).
What are the key properties of 1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile?
1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 79250878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).