1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea

C13H21N5O — CID 71931599

IUPAC1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea
SMILESCCN(CC1CC1)C(=O)NCc1nnc2n1CCC2
InChIInChI=1S/C13H21N5O/c1-2-17(9-10-5-6-10)13(19)14-8-12-16-15-11-4-3-7-18(11)12/h10H,2-9H2,1H3,(H,14,19)
InChIKeyNMOSGFPYHXMQST-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.17
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea

1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea (PubChem CID 71931599) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea
PubChem CID71931599
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea
SMILESCCN(CC1CC1)C(=O)NCc1nnc2n1CCC2
InChIInChI=1S/C13H21N5O/c1-2-17(9-10-5-6-10)13(19)14-8-12-16-15-11-4-3-7-18(11)12/h10H,2-9H2,1H3,(H,14,19)
InChIKeyNMOSGFPYHXMQST-UHFFFAOYSA-N
XLogP1.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea (CID 71931599) is 1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea is CCN(CC1CC1)C(=O)NCc1nnc2n1CCC2.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea?
The InChIKey is NMOSGFPYHXMQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-17(9-10-5-6-10)13(19)14-8-12-16-15-11-4-3-7-18(11)12/h10H,2-9H2,1H3,(H,14,19).
What are the key properties of 1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea?
1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea has a molecular weight of 263.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethylurea is sourced from PubChem (CID 71931599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).