N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide

C12H23N5O2 — CID 103107020

IUPACN-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1cn(CCCO)nn1
InChIInChI=1S/C12H23N5O2/c1-4-16(3)12(19)10(2)13-8-11-9-17(15-14-11)6-5-7-18/h9-10,13,18H,4-8H2,1-3H3
InChIKeyUDPJGJCDIUWTHF-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.38
Rot. Bonds8

About N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide

N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide (PubChem CID 103107020) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide
PubChem CID103107020
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC NameN-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1cn(CCCO)nn1
InChIInChI=1S/C12H23N5O2/c1-4-16(3)12(19)10(2)13-8-11-9-17(15-14-11)6-5-7-18/h9-10,13,18H,4-8H2,1-3H3
InChIKeyUDPJGJCDIUWTHF-UHFFFAOYSA-N
XLogP-0.38
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide
CID 66268924
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269515
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-ethyl-N-methylpropanamide
CID 103109183
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
3-[4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
3-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81348534
3-[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269880
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide (CID 103107020) is N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1cn(CCCO)nn1.
What is the InChIKey of N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide?
The InChIKey is UDPJGJCDIUWTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-16(3)12(19)10(2)13-8-11-9-17(15-14-11)6-5-7-18/h9-10,13,18H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide?
N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide has a molecular weight of 269.35 g/mol, XLogP of -0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide is sourced from PubChem (CID 103107020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).