N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine

C12H21N7 — CID 51105032

IUPACN,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1nncn1C
InChIInChI=1S/C12H21N7/c1-9-10(12(17(2)3)19(5)16-9)6-13-7-11-15-14-8-18(11)4/h8,13H,6-7H2,1-5H3
InChIKeyRXWBICAOXXCNIZ-UHFFFAOYSA-N
MW263.35 g/mol
LogP0.21
Rot. Bonds5

About N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine

N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine (PubChem CID 51105032) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine
PubChem CID51105032
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC NameN,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1nncn1C
InChIInChI=1S/C12H21N7/c1-9-10(12(17(2)3)19(5)16-9)6-13-7-11-15-14-8-18(11)4/h8,13H,6-7H2,1-5H3
InChIKeyRXWBICAOXXCNIZ-UHFFFAOYSA-N
XLogP0.21
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine (CID 51105032) is N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNCc1nncn1C.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine?
The InChIKey is RXWBICAOXXCNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7/c1-9-10(12(17(2)3)19(5)16-9)6-13-7-11-15-14-8-18(11)4/h8,13H,6-7H2,1-5H3.
What are the key properties of N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine has a molecular weight of 263.35 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]pyrazol-5-amine is sourced from PubChem (CID 51105032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).