(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine

C11H18N6 — CID 102804469

IUPAC(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cn(C)nc1C
InChIInChI=1S/C11H18N6/c1-4-5-17-10(6-13-15-17)11(12)9-7-16(3)14-8(9)2/h6-7,11H,4-5,12H2,1-3H3
InChIKeyQKFORWGPJPTQJN-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.78
Rot. Bonds4

About (1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine

(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 102804469) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
PubChem CID102804469
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cn(C)nc1C
InChIInChI=1S/C11H18N6/c1-4-5-17-10(6-13-15-17)11(12)9-7-16(3)14-8(9)2/h6-7,11H,4-5,12H2,1-3H3
InChIKeyQKFORWGPJPTQJN-UHFFFAOYSA-N
XLogP0.78
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102812830
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114688446
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630
(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine
CID 105182120
(3-propyltriazol-4-yl)-pyrazin-2-ylmethanamine
CID 114687030
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine (CID 102804469) is (1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1cn(C)nc1C.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is QKFORWGPJPTQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-4-5-17-10(6-13-15-17)11(12)9-7-16(3)14-8(9)2/h6-7,11H,4-5,12H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine?
(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 234.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 102804469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).