2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide

C8H13N5O — CID 170168101

IUPAC2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide
SMILESNC(=O)C(N)CC1CCn2cnnc21
InChIInChI=1S/C8H13N5O/c9-6(7(10)14)3-5-1-2-13-4-11-12-8(5)13/h4-6H,1-3,9H2,(H2,10,14)
InChIKeySKJLZCRMFWCQQT-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.03
Rot. Bonds3

About 2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide

2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide (PubChem CID 170168101) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide
PubChem CID170168101
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide
SMILESNC(=O)C(N)CC1CCn2cnnc21
InChIInChI=1S/C8H13N5O/c9-6(7(10)14)3-5-1-2-13-4-11-12-8(5)13/h4-6H,1-3,9H2,(H2,10,14)
InChIKeySKJLZCRMFWCQQT-UHFFFAOYSA-N
XLogP-1.03
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide?
The IUPAC name of 2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide (CID 170168101) is 2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide.
What is the SMILES notation for 2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide?
The canonical SMILES for 2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide is NC(=O)C(N)CC1CCn2cnnc21.
What is the InChIKey of 2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide?
The InChIKey is SKJLZCRMFWCQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-6(7(10)14)3-5-1-2-13-4-11-12-8(5)13/h4-6H,1-3,9H2,(H2,10,14).
What are the key properties of 2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide?
2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide has a molecular weight of 195.23 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide is sourced from PubChem (CID 170168101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).