(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine

C10H14N6 — CID 114687777

IUPAC(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine
SMILESCCCn1nncc1C(N)c1ccncn1
InChIInChI=1S/C10H14N6/c1-2-5-16-9(6-14-15-16)10(11)8-3-4-12-7-13-8/h3-4,6-7,10H,2,5,11H2,1H3
InChIKeyHKNSHEXLIRAJIZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.53
Rot. Bonds4

About (3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine

(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine (PubChem CID 114687777) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine
PubChem CID114687777
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine
SMILESCCCn1nncc1C(N)c1ccncn1
InChIInChI=1S/C10H14N6/c1-2-5-16-9(6-14-15-16)10(11)8-3-4-12-7-13-8/h3-4,6-7,10H,2,5,11H2,1H3
InChIKeyHKNSHEXLIRAJIZ-UHFFFAOYSA-N
XLogP0.53
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-propyltriazol-4-yl)-pyrazin-2-ylmethanamine
CID 114687030
(3-propyltriazol-4-yl)-(thiadiazol-4-yl)methanamine
CID 105182120
(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine
CID 114652255
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
CID 63988738
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine
CID 105182118
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102812830
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745

Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine?
The IUPAC name of (3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine (CID 114687777) is (3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine.
What is the SMILES notation for (3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine?
The canonical SMILES for (3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine is CCCn1nncc1C(N)c1ccncn1.
What is the InChIKey of (3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine?
The InChIKey is HKNSHEXLIRAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-2-5-16-9(6-14-15-16)10(11)8-3-4-12-7-13-8/h3-4,6-7,10H,2,5,11H2,1H3.
What are the key properties of (3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine?
(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine has a molecular weight of 218.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 114687777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).