3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile

C12H15N7 — CID 75483901

IUPAC3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile
SMILESCC(C)c1nnc(CNc2nccnc2C#N)n1C
InChIInChI=1S/C12H15N7/c1-8(2)12-18-17-10(19(12)3)7-16-11-9(6-13)14-4-5-15-11/h4-5,8H,7H2,1-3H3,(H,15,16)
InChIKeyDYOROBWZLSVSDE-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.21
Rot. Bonds4

About 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile

3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile (PubChem CID 75483901) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile
PubChem CID75483901
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile
SMILESCC(C)c1nnc(CNc2nccnc2C#N)n1C
InChIInChI=1S/C12H15N7/c1-8(2)12-18-17-10(19(12)3)7-16-11-9(6-13)14-4-5-15-11/h4-5,8H,7H2,1-3H3,(H,15,16)
InChIKeyDYOROBWZLSVSDE-UHFFFAOYSA-N
XLogP1.21
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile (CID 75483901) is 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile is CC(C)c1nnc(CNc2nccnc2C#N)n1C.
What is the InChIKey of 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is DYOROBWZLSVSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-8(2)12-18-17-10(19(12)3)7-16-11-9(6-13)14-4-5-15-11/h4-5,8H,7H2,1-3H3,(H,15,16).
What are the key properties of 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile?
3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 75483901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).