N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide

C9H12N8O2 — CID 1313026

IUPACN,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ncn[nH]1)Nc1ncn[nH]1
InChIInChI=1S/C9H12N8O2/c18-6(14-8-10-4-12-16-8)2-1-3-7(19)15-9-11-5-13-17-9/h4-5H,1-3H2,(H2,10,12,14,16,18)(H2,11,13,15,17,19)
InChIKeyIADNWMQHKBHDIG-UHFFFAOYSA-N
MW264.25 g/mol
LogP-0.33
Rot. Bonds6

About N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide

N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide (PubChem CID 1313026) has the molecular formula C9H12N8O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide
PubChem CID1313026
Molecular FormulaC9H12N8O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC NameN,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ncn[nH]1)Nc1ncn[nH]1
InChIInChI=1S/C9H12N8O2/c18-6(14-8-10-4-12-16-8)2-1-3-7(19)15-9-11-5-13-17-9/h4-5H,1-3H2,(H2,10,12,14,16,18)(H2,11,13,15,17,19)
InChIKeyIADNWMQHKBHDIG-UHFFFAOYSA-N
XLogP-0.33
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4H-1,2,4-Triazol-3-YL)pentanamide
CID 19171439
N-(2h-1,2,4-triazol-3-yl)-3-(2h-1,2,4-triazol-3-ylamino)propionamide
CID 129873677
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(1H-1,2,4-triazol-3-yl)hexanediamide
CID 2268768
ethane;N-(1H-1,2,4-triazol-5-yl)butanamide;N-(1H-1,2,4-triazol-5-yl)pentanamide;N-(1H-1,2,4-triazol-5-yl)propanamide
CID 54302832
N-(1H-1,2,4-triazol-5-yl)hexanamide
CID 60660165
5-oxo-N-(1H-1,2,4-triazol-5-yl)hexanamide
CID 163848110
N-(1H-1,2,4-triazol-5-yl)-3-(1H-1,2,4-triazol-5-ylimino)butanamide
CID 350659
5-oxo-N-(1H-1,2,4-triazol-5-yl)-5-(1,2,4-triazol-1-yl)pentanamide
CID 2783837
N,N'-bis(1,2,4-triazol-4-yl)pentanediamide
CID 4381290
(3E)-N-(1H-1,2,4-triazol-5-yl)-3-(1H-1,2,4-triazol-5-ylimino)butanamide
CID 50989802
4-(1H-tetraazol-1-yl)-N-(1H-1,2,4-triazol-3-yl)butanamide
CID 125432900
N-(1H-1,2,4-triazol-5-yl)hex-5-ynamide
CID 130616098

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide?
The IUPAC name of N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide (CID 1313026) is N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide.
What is the SMILES notation for N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide?
The canonical SMILES for N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide is O=C(CCCC(=O)Nc1ncn[nH]1)Nc1ncn[nH]1.
What is the InChIKey of N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide?
The InChIKey is IADNWMQHKBHDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8O2/c18-6(14-8-10-4-12-16-8)2-1-3-7(19)15-9-11-5-13-17-9/h4-5H,1-3H2,(H2,10,12,14,16,18)(H2,11,13,15,17,19).
What are the key properties of N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide?
N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide has a molecular weight of 264.25 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1H-1,2,4-triazol-5-yl)pentanediamide is sourced from PubChem (CID 1313026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).