N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine

C11H15N5 — CID 913757

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine
SMILESCN(C)c1ccc(CNc2ncn[nH]2)cc1
InChIInChI=1S/C11H15N5/c1-16(2)10-5-3-9(4-6-10)7-12-11-13-8-14-15-11/h3-6,8H,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyIPNRVOXKBNGNNE-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.48
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine

N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine (PubChem CID 913757) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine
PubChem CID913757
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine
SMILESCN(C)c1ccc(CNc2ncn[nH]2)cc1
InChIInChI=1S/C11H15N5/c1-16(2)10-5-3-9(4-6-10)7-12-11-13-8-14-15-11/h3-6,8H,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyIPNRVOXKBNGNNE-UHFFFAOYSA-N
XLogP1.48
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine (CID 913757) is N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine is CN(C)c1ccc(CNc2ncn[nH]2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is IPNRVOXKBNGNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-16(2)10-5-3-9(4-6-10)7-12-11-13-8-14-15-11/h3-6,8H,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine?
N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 217.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 913757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).