6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine

C12H18N6 — CID 112744663

IUPAC6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(-c2ncnn2C(C)C)n1
InChIInChI=1S/C12H18N6/c1-4-5-14-11-7-13-6-10(17-11)12-15-8-16-18(12)9(2)3/h6-9H,4-5H2,1-3H3,(H,14,17)
InChIKeyLMHAPDOQDLWHJT-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.14
Rot. Bonds5

About 6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine

6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine (PubChem CID 112744663) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine
PubChem CID112744663
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(-c2ncnn2C(C)C)n1
InChIInChI=1S/C12H18N6/c1-4-5-14-11-7-13-6-10(17-11)12-15-8-16-18(12)9(2)3/h6-9H,4-5H2,1-3H3,(H,14,17)
InChIKeyLMHAPDOQDLWHJT-UHFFFAOYSA-N
XLogP2.14
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine
CID 106463819
N-propyl-6-(1H-pyrrol-2-yl)pyrazin-2-amine
CID 103341800
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890913
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
CID 80814670
6-pentan-2-yloxy-N-propylpyrazin-2-amine
CID 102989461
3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
CID 80848976
2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine
CID 80839139
6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine
CID 80868903

Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine (CID 112744663) is 6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine is CCCNc1cncc(-c2ncnn2C(C)C)n1.
What is the InChIKey of 6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine?
The InChIKey is LMHAPDOQDLWHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-5-14-11-7-13-6-10(17-11)12-15-8-16-18(12)9(2)3/h6-9H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine?
6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine has a molecular weight of 246.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 112744663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).