N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide

C14H22N4O2 — CID 95125519

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide
SMILESCN(Cc1nnc2n1CCC2)C(=O)CC[C@@H]1CCCO1
InChIInChI=1S/C14H22N4O2/c1-17(14(19)7-6-11-4-3-9-20-11)10-13-16-15-12-5-2-8-18(12)13/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyWKOUCTRZWRDEQX-NSHDSACASA-N
MW278.36 g/mol
LogP1.14
Rot. Bonds5

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 95125519) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID95125519
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide
SMILESCN(Cc1nnc2n1CCC2)C(=O)CC[C@@H]1CCCO1
InChIInChI=1S/C14H22N4O2/c1-17(14(19)7-6-11-4-3-9-20-11)10-13-16-15-12-5-2-8-18(12)13/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyWKOUCTRZWRDEQX-NSHDSACASA-N
XLogP1.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide (CID 95125519) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide is CN(Cc1nnc2n1CCC2)C(=O)CC[C@@H]1CCCO1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is WKOUCTRZWRDEQX-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17(14(19)7-6-11-4-3-9-20-11)10-13-16-15-12-5-2-8-18(12)13/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 95125519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).