N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole

C8H18N4 — CID 118131012

IUPACN-propan-2-ylpropan-2-amine;1H-1,2,4-triazole
SMILESCC(C)NC(C)C.c1nc[nH]n1
InChIInChI=1S/C6H15N.C2H3N3/c1-5(2)7-6(3)4;1-3-2-5-4-1/h5-7H,1-4H3;1-2H,(H,3,4,5)
InChIKeyUNTZMWWBOHHTBR-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.20
Rot. Bonds2

About N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole

N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole (PubChem CID 118131012) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole.

Molecular Properties

Compound NameN-propan-2-ylpropan-2-amine;1H-1,2,4-triazole
PubChem CID118131012
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN-propan-2-ylpropan-2-amine;1H-1,2,4-triazole
SMILESCC(C)NC(C)C.c1nc[nH]n1
InChIInChI=1S/C6H15N.C2H3N3/c1-5(2)7-6(3)4;1-3-2-5-4-1/h5-7H,1-4H3;1-2H,(H,3,4,5)
InChIKeyUNTZMWWBOHHTBR-UHFFFAOYSA-N
XLogP1.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1,2,4-triazol-4-amine
CID 3352461
N-propyl-1,2,4-triazol-4-amine
CID 15397097
N-propyl-1H-1,2,4-triazol-5-amine
CID 17934835
tetrabutylammonium 1H-1,2,4-triazole
CID 18956510
N-propan-2-yl-1H-1,2,4-triazol-5-amine
CID 20738483
butan-1-amine;1H-1,2,4-triazole
CID 22361871
2-propyl-1-(1H-1,2,4-triazol-5-yl)guanidine
CID 57097788
N-methyl-2-propan-2-yl-1H-1,2,4-triazole-2,4-diium-4-amine
CID 57641366
N-(1H-1,2,4-triazol-5-yloxymethyl)propan-2-amine
CID 59706202
CID 68130943
CID 68130943
CID 68131816
CID 68131816
N,N-diethylethanamine;1H-1,2,4-triazol-5-amine
CID 70079889

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole?
The IUPAC name of N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole (CID 118131012) is N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole.
What is the SMILES notation for N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole?
The canonical SMILES for N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole is CC(C)NC(C)C.c1nc[nH]n1.
What is the InChIKey of N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole?
The InChIKey is UNTZMWWBOHHTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H3N3/c1-5(2)7-6(3)4;1-3-2-5-4-1/h5-7H,1-4H3;1-2H,(H,3,4,5).
What are the key properties of N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole?
N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole has a molecular weight of 170.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpropan-2-amine;1H-1,2,4-triazole is sourced from PubChem (CID 118131012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).