N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine

C10H16N6 — CID 135984707

IUPACN-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine
SMILESCCCCCNc1nc[nH]c1-c1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-2-3-4-5-11-9-8(12-6-13-9)10-14-7-15-16-10/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyCINASTGOIBRFBJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.80
Rot. Bonds6

About N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine

N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine (PubChem CID 135984707) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine.

Molecular Properties

Compound NameN-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine
PubChem CID135984707
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine
SMILESCCCCCNc1nc[nH]c1-c1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-2-3-4-5-11-9-8(12-6-13-9)10-14-7-15-16-10/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyCINASTGOIBRFBJ-UHFFFAOYSA-N
XLogP1.80
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 166698057
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CID 71364813
CID 71364813
CID 136237787
CID 136237787
CID 136276433
CID 136276433
CID 50969252
CID 50969252
CID 50978613
CID 50978613
CID 135539725
CID 135539725
CID 134194624
CID 134194624
CID 135626904
CID 135626904

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine?
The IUPAC name of N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine (CID 135984707) is N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine.
What is the SMILES notation for N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine?
The canonical SMILES for N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine is CCCCCNc1nc[nH]c1-c1ncn[nH]1.
What is the InChIKey of N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine?
The InChIKey is CINASTGOIBRFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-2-3-4-5-11-9-8(12-6-13-9)10-14-7-15-16-10/h6-7,11H,2-5H2,1H3,(H,12,13)(H,14,15,16).
What are the key properties of N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine?
N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine has a molecular weight of 220.28 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine is sourced from PubChem (CID 135984707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).