N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine

C13H19N5O — CID 106597435

IUPACN-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccnc(Oc2ncn(C)n2)c1
InChIInChI=1S/C13H19N5O/c1-4-6-14-10(2)11-5-7-15-12(8-11)19-13-16-9-18(3)17-13/h5,7-10,14H,4,6H2,1-3H3
InChIKeyNPDPVRSPVWQVEA-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.06
Rot. Bonds6

About N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine

N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine (PubChem CID 106597435) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine
PubChem CID106597435
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccnc(Oc2ncn(C)n2)c1
InChIInChI=1S/C13H19N5O/c1-4-6-14-10(2)11-5-7-15-12(8-11)19-13-16-9-18(3)17-13/h5,7-10,14H,4,6H2,1-3H3
InChIKeyNPDPVRSPVWQVEA-UHFFFAOYSA-N
XLogP2.06
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598602
N-[1-[2-(1-ethoxypropan-2-yloxy)-4-pyridinyl]ethyl]propan-1-amine
CID 103488781
N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine
CID 106447868
3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile
CID 107658698
1-[2-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-ethylethanamine
CID 106597433
1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine
CID 104707882
2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598687
N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine
CID 106598275
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
N-[1-[2-(1-benzylpyrrolidin-3-yl)oxy-4-pyridinyl]ethyl]propan-1-amine
CID 113254245
3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propan-2-ylpropan-1-amine
CID 106598202
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine (CID 106597435) is N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccnc(Oc2ncn(C)n2)c1.
What is the InChIKey of N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine?
The InChIKey is NPDPVRSPVWQVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-6-14-10(2)11-5-7-15-12(8-11)19-13-16-9-18(3)17-13/h5,7-10,14H,4,6H2,1-3H3.
What are the key properties of N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine?
N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 106597435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).