N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide

C13H25N5O2 — CID 66194740

IUPACN-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
SMILESCOCCCNC(=O)C(C)n1cc(CNC(C)C)nn1
InChIInChI=1S/C13H25N5O2/c1-10(2)15-8-12-9-18(17-16-12)11(3)13(19)14-6-5-7-20-4/h9-11,15H,5-8H2,1-4H3,(H,14,19)
InChIKeyBQDRVEANVZAKBO-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.49
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide

N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide (PubChem CID 66194740) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
PubChem CID66194740
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC NameN-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
SMILESCOCCCNC(=O)C(C)n1cc(CNC(C)C)nn1
InChIInChI=1S/C13H25N5O2/c1-10(2)15-8-12-9-18(17-16-12)11(3)13(19)14-6-5-7-20-4/h9-11,15H,5-8H2,1-4H3,(H,14,19)
InChIKeyBQDRVEANVZAKBO-UHFFFAOYSA-N
XLogP0.49
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide
CID 66194678
N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
CID 66192312
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 62399584
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
CID 66205010
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194152
N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82882044
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 114419809
2-[4-(4-aminobutyl)triazol-1-yl]-N-butylpropanamide
CID 106209360
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622412
N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194414
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide (CID 66194740) is N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide is COCCCNC(=O)C(C)n1cc(CNC(C)C)nn1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide?
The InChIKey is BQDRVEANVZAKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-10(2)15-8-12-9-18(17-16-12)11(3)13(19)14-6-5-7-20-4/h9-11,15H,5-8H2,1-4H3,(H,14,19).
What are the key properties of N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide?
N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide has a molecular weight of 283.38 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide is sourced from PubChem (CID 66194740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).