(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine

C11H16N6 — CID 114688940

IUPAC(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ncc(C)cn1
InChIInChI=1S/C11H16N6/c1-3-4-17-9(7-15-16-17)10(12)11-13-5-8(2)6-14-11/h5-7,10H,3-4,12H2,1-2H3
InChIKeySQRYCTUUCNIGPM-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.83
Rot. Bonds4

About (5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine

(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 114688940) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is (5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
PubChem CID114688940
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ncc(C)cn1
InChIInChI=1S/C11H16N6/c1-3-4-17-9(7-15-16-17)10(12)11-13-5-8(2)6-14-11/h5-7,10H,3-4,12H2,1-2H3
InChIKeySQRYCTUUCNIGPM-UHFFFAOYSA-N
XLogP0.83
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105261508
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(3-propyltriazol-4-yl)-pyrazin-2-ylmethanamine
CID 114687030
(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102804469
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine
CID 114687777
(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine
CID 105182120
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102812830
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine (CID 114688940) is (5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1ncc(C)cn1.
What is the InChIKey of (5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is SQRYCTUUCNIGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-4-17-9(7-15-16-17)10(12)11-13-5-8(2)6-14-11/h5-7,10H,3-4,12H2,1-2H3.
What are the key properties of (5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine?
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 232.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).