N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine

C12H18N6 — CID 102923832

IUPACN-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1cncnc1
InChIInChI=1S/C12H18N6/c1-3-5-18-11(8-16-17-18)12(15-4-2)10-6-13-9-14-7-10/h6-9,12,15H,3-5H2,1-2H3
InChIKeyJLIBCTDKKJTLEK-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.18
Rot. Bonds6

About N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine

N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 102923832) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID102923832
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1cncnc1
InChIInChI=1S/C12H18N6/c1-3-5-18-11(8-16-17-18)12(15-4-2)10-6-13-9-14-7-10/h6-9,12,15H,3-5H2,1-2H3
InChIKeyJLIBCTDKKJTLEK-UHFFFAOYSA-N
XLogP1.18
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038502
N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
N-[(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038850
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182281
N-[(5-bromothiophen-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687820
N-[(5-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688667
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687716
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797

Frequently Asked Questions

What is the IUPAC name of N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine (CID 102923832) is N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine is CCCn1nncc1C(NCC)c1cncnc1.
What is the InChIKey of N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is JLIBCTDKKJTLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-5-18-11(8-16-17-18)12(15-4-2)10-6-13-9-14-7-10/h6-9,12,15H,3-5H2,1-2H3.
What are the key properties of N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 246.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 102923832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).